Results for:
chemical Classification: azoles

2-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]tetrazol-5-amine

Compound Details

Synonymous names
Oprea1_346709
Oprea1_804089
OYLXPFSOFZCCQP-UHFFFAOYSA-N
HMS1692B09
2-[2-(4-Methyl-furazan-3-yloxy)-ethyl]-2H-tetrazol-5-ylamine
AKOS000609663
MCULE-2365142819
BRD-K95933661-001-01-1
Microorganism:

Yes

IUPAC name2-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]tetrazol-5-amine
SMILESCC1=NON=C1OCCN2N=C(N=N2)N
InchiInChI=1S/C6H9N7O2/c1-4-5(11-15-10-4)14-3-2-13-9-6(7)8-12-13/h2-3H2,1H3,(H2,7,9)
FormulaC6H9N7O2
PubChem ID3157632
Molweight211.18
LogP-0.1
Atoms15
Bonds4
H-bond Acceptor8
H-bond Donor1
Chemical Classificationaromatic compounds azoles amines nitrogen compounds ethers heterocyclic compounds oxazoles

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaSaccharomyces CerevisiaeNANAHarris et al. 2021
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaSaccharomyces Cerevisiaemalt extract brothHS-SPME with GC-MSno


2,4-dimethyl-1,3-oxazole

Compound Details

Synonymous names
2,4-Dimethyloxazole
7208-05-1
2,4-Dimethyl-1,3-oxazole
Oxazole, 2,4-dimethyl-
dimethyl oxazole
2,4-DIMETHYL-OXAZOLE
G0W5QQT2LD
UNII-G0W5QQT2LD
2,4-Dimethyl-1,3-oxazole #
DTXSID60222408
CHEBI:195692
MFCD00234124
AKOS006280508
CS-W011337
DB-074523
DB-243437
D3766
EN300-102560
T71266
A837415
InChI=1/C5H7NO/c1-4-3-7-5(2)6-4/h3H,1-2H
Microorganism:

Yes

IUPAC name2,4-dimethyl-1,3-oxazole
SMILESCC1=COC(=N1)C
InchiInChI=1S/C5H7NO/c1-4-3-7-5(2)6-4/h3H,1-2H3
FormulaC5H7NO
PubChem ID138961
Molweight97.12
LogP1.1
Atoms7
Bonds0
H-bond Acceptor2
H-bond Donor0
Chemical Classificationaromatic compounds azoles heterocyclic compounds nitrogen compounds oxazoles
CHEBI-ID195692
Supernatural-IDSN0294095

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaShewanella Algaeinhibits mycelial growth of Aspergillus flavus and germination of Aspergillus flavus' conidiasea sediment in east China coastGong et al. 2015
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaShewanella AlgaeNA mediumSPME-GC/MSyes


1,3-benzoxazole

Compound Details

Synonymous names
BENZOXAZOLE
273-53-0
1,3-Benzoxazole
BENZO[D]OXAZOLE
1-Oxa-3-azaindene
1-Oxa-3-aza-1H-indene
USAF EK-5017
Benzooxazole
CHEBI:38814
J233Y1I55I
NSC-3982
MFCD00005765
Benzoxazoles
NSC 3982
EINECS 205-988-9
UNII-J233Y1I55I
AI3-05743
NSC3982
Benzoxazole, 98%
1,3-Benzoxazole #
SCHEMBL7903
WLN: T56 BN DOJ
CHEMBL451894
DTXSID8059768
AKOS000119993
CS-W004722
PS-3680
5-BROMO-4-CHLORO-3-INDOLYLB-D-
DB-029474
A3423
B0095
NS00028287
EN300-20396
H10149
A819031
Q761111
J-016748
InChI=1/C7H5NO/c1-2-4-7-6(3-1)8-5-9-7/h1-5
Microorganism:

Yes

IUPAC name1,3-benzoxazole
SMILESC1=CC=C2C(=C1)N=CO2
InchiInChI=1S/C7H5NO/c1-2-4-7-6(3-1)8-5-9-7/h1-5H
FormulaC7H5NO
PubChem ID9228
Molweight119.12
LogP1.6
Atoms9
Bonds0
H-bond Acceptor2
H-bond Donor0
Chemical Classificationheterocyclic compounds benzenoids nitrogen compounds aromatic compounds azoles
CHEBI-ID38814
Supernatural-IDSN0021823

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaPseudomonas AeruginosaNANABean et al. 2012
ProkaryotaBacillus Subtilisantifungal activity against Alternaria solaniisolate from rhizosphere of potato in Shandong and Hebei Province in ChinaZhang et al. 2020
EukaryotaChromera VeliaCulture Collection of Algae and Protozoa (CCAP) at the SAMS Limited Scottish Marine Institute (Oban, Argyll, Scotland, UK)Koteska et al. 2023
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaPseudomonas Aeruginosalysogeny brothSPME/GCxGC-MSno
ProkaryotaBacillus SubtilisLB mediaHS-SPME/GC-MSyes
EukaryotaChromera Veliaseawater media L1OSSA/GC-MSno


2-phenyltetrazole-5-carboxylic Acid

Compound Details

Synonymous names
54798-92-4
2-PHENYL-2H-TETRAZOLE-5-CARBOXYLIC ACID
2H-Tetrazole-5-carboxylic acid, 2-phenyl-
2-Phenyltetrazole-5-carboxylic acid
2-phenyl-2H-1,2,3,4-tetrazole-5-carboxylic acid
SCHEMBL2211336
DTXSID70203268
YFIIOEOZTVRRDK-UHFFFAOYSA-N
MFCD03413881
STL227189
AKOS002250471
MCULE-6317045626
DB-338669
CS-0224191
EN300-118160
Microorganism:

Yes

IUPAC name2-phenyltetrazole-5-carboxylic acid
SMILESC1=CC=C(C=C1)N2N=C(N=N2)C(=O)O
InchiInChI=1S/C8H6N4O2/c13-8(14)7-9-11-12(10-7)6-4-2-1-3-5-6/h1-5H,(H,13,14)
FormulaC8H6N4O2
PubChem ID143198
Molweight190.16
LogP1.6
Atoms14
Bonds2
H-bond Acceptor5
H-bond Donor1
Chemical Classificationaromatic compounds carboxylic acids benzenoids organic acids azoles nitrogen compounds

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaCandida AlbicansNAKarami et al. 2017
ProkaryotaStaphylococcus AureusNAKarami et al. 2017
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaCandida AlbicansMueller Hinton broth (MB), tryptic soy broth (TSB)SPME, DVB/CAR/PDMS, GC-MSno
ProkaryotaStaphylococcus AureusMueller Hinton broth (MB), tryptic soy broth (TSB)SPME, DVB/CAR/PDMS, GC-MSno


5-methyl-N-trimethylsilyl-1,2-oxazol-3-amine

Compound Details

Synonymous names
5-Methyl-N-(trimethylsilyl)isoxazol-3-amine
99356-57-7
PRHAHKRWNHLXGA-UHFFFAOYSA-N
3-Amino-5-methylisoxazole, N-trimethylsilyl-
3-Isoxazolamine, 5-methyl-N-(trimethylsilyl)-
Microorganism:

Yes

IUPAC name5-methyl-N-trimethylsilyl-1,2-oxazol-3-amine
SMILESCC1=CC(=NO1)N[Si](C)(C)C
InchiInChI=1S/C7H14N2OSi/c1-6-5-7(8-10-6)9-11(2,3)4/h5H,1-4H3,(H,8,9)
FormulaC7H14N2OSi
PubChem ID13545122
Molweight170.28
LogP0
Atoms11
Bonds2
H-bond Acceptor3
H-bond Donor1
Chemical Classificationorganosilicon compounds heterocyclic compounds nitrogen compounds aromatic compounds azoles

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaSaccharomyces CerevisiaeNANAHarris et al. 2021
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaSaccharomyces Cerevisiaemalt extract brothHS-SPME with GC-MSno


2-methyltetrazole

Compound Details

Synonymous names
2-Methyltetrazole
16681-78-0
2H-Tetrazole, 2-methyl-
2-methyl-2H-tetrazole
2H-Tetrazole,2-methyl-
2-methyl-2H-1,2,3,4-tetrazole
2-Methyl-2H-tetraazole #
DTXSID20168196
VRESBNUEIKZECD-UHFFFAOYSA-N
MFCD07757625
STK688932
AKOS005601303
2-METHYL-1,2,3,4-TETRAZOLE
2-METHYL-2H-1,2,3,4-TETRAAZOLE
DB-356138
EN300-260075
G50338
Microorganism:

Yes

IUPAC name2-methyltetrazole
SMILESCN1N=CN=N1
InchiInChI=1S/C2H4N4/c1-6-4-2-3-5-6/h2H,1H3
FormulaC2H4N4
PubChem ID140124
Molweight84.08
LogP0.1
Atoms6
Bonds0
H-bond Acceptor3
H-bond Donor0
Chemical Classificationazoles heterocyclic compounds nitrogen compounds

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
Pectobacterium CarotovorumKate et al. 2023
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
Pectobacterium Carotovoruminoculated potato samplesGC-MSno