2-(3-methylphenyl)-1,3,4-oxadiazole

C9H8N2O — CID 22937238

IUPAC2-(3-methylphenyl)-1,3,4-oxadiazole
SMILESCc1cccc(-c2nnco2)c1
InChIInChI=1S/C9H8N2O/c1-7-3-2-4-8(5-7)9-11-10-6-12-9/h2-6H,1H3
InChIKeyIUKXRBAYNRAFFQ-UHFFFAOYSA-N
MW160.18 g/mol
LogP2.05
Rot. Bonds1

About 2-(3-methylphenyl)-1,3,4-oxadiazole

2-(3-methylphenyl)-1,3,4-oxadiazole (PubChem CID 22937238) has the molecular formula C9H8N2O and a molecular weight of 160.18 g/mol. Its IUPAC name is 2-(3-methylphenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(3-methylphenyl)-1,3,4-oxadiazole
PubChem CID22937238
Molecular FormulaC9H8N2O
Molecular Weight160.18 g/mol
Exact Mass160.06
IUPAC Name2-(3-methylphenyl)-1,3,4-oxadiazole
SMILESCc1cccc(-c2nnco2)c1
InChIInChI=1S/C9H8N2O/c1-7-3-2-4-8(5-7)9-11-10-6-12-9/h2-6H,1H3
InChIKeyIUKXRBAYNRAFFQ-UHFFFAOYSA-N
XLogP2.05
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.18
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(4,5-dimethylthiophen-2-yl)phenyl]-1,3,4-oxadiazole
CID 90289831
N-(3-methylbutan-2-yl)-3-(1,3,4-oxadiazol-2-yl)aniline
CID 43206454
2-(3-methoxy-5-methylphenyl)-1,3,4-oxadiazole
CID 171373652
N'-tert-butyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]ethane-1,2-diamine
CID 107444720
3-(1,3,4-oxadiazol-2-yl)-N-(1-phenylethyl)aniline
CID 43206434
N-[(3-methylthiophen-2-yl)methyl]-3-(1,3,4-oxadiazol-2-yl)aniline
CID 28713589
2-(3-methylphenyl)-5-pyridin-4-yl-1,3,4-oxadiazole
CID 872987
ethane;2-(4-methyl-2-pyridinyl)-1,3,4-oxadiazole
CID 168929695
ethane;2-methyl-5-[3-(3-methylphenyl)phenyl]-1,3,4-oxadiazole
CID 166546394
N-(2,2-dimethoxyethyl)-3-(1,3,4-oxadiazol-2-yl)aniline
CID 63685700
2-methyl-3-[3-(1,3,4-oxadiazol-2-yl)anilino]butan-2-ol
CID 65333020
2,4,5-trimethyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]furan-3-carboxamide
CID 86928806

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(3-methylphenyl)-1,3,4-oxadiazole (CID 22937238) is 2-(3-methylphenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(3-methylphenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(3-methylphenyl)-1,3,4-oxadiazole is Cc1cccc(-c2nnco2)c1.
What is the InChIKey of 2-(3-methylphenyl)-1,3,4-oxadiazole?
The InChIKey is IUKXRBAYNRAFFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O/c1-7-3-2-4-8(5-7)9-11-10-6-12-9/h2-6H,1H3.
What are the key properties of 2-(3-methylphenyl)-1,3,4-oxadiazole?
2-(3-methylphenyl)-1,3,4-oxadiazole has a molecular weight of 160.18 g/mol, XLogP of 2.05, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 22937238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).