2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzonitrile

C11H9N3O2 — CID 7999217

IUPAC2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzonitrile
SMILESCc1nnc(COc2ccccc2C#N)o1
InChIInChI=1S/C11H9N3O2/c1-8-13-14-11(16-8)7-15-10-5-3-2-4-9(10)6-12/h2-5H,7H2,1H3
InChIKeyWYFKAOZIBVFUTK-UHFFFAOYSA-N
MW215.21 g/mol
LogP1.83
Rot. Bonds3

About 2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzonitrile

2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzonitrile (PubChem CID 7999217) has the molecular formula C11H9N3O2 and a molecular weight of 215.21 g/mol. Its IUPAC name is 2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzonitrile.

Molecular Properties

Compound Name2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzonitrile
PubChem CID7999217
Molecular FormulaC11H9N3O2
Molecular Weight215.21 g/mol
Exact Mass215.07
IUPAC Name2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzonitrile
SMILESCc1nnc(COc2ccccc2C#N)o1
InChIInChI=1S/C11H9N3O2/c1-8-13-14-11(16-8)7-15-10-5-3-2-4-9(10)6-12/h2-5H,7H2,1H3
InChIKeyWYFKAOZIBVFUTK-UHFFFAOYSA-N
XLogP1.83
TPSA71.94 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.21
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1,3,4-Oxadiazole, 2-amino-5-(m-tolyloxymethyl)-
CID 30674
4-{[5-(4-Fluoro)-1,3,4-oxadiazol-2-yl]methoxy}-3-methoxybenzonitrile
CID 163183553
2-Methylsulfanyl-5-[(4-propan-2-ylphenoxy)methyl]-1,3,4-oxadiazole
CID 856567
N-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]methoxy]-1-phenyl-ethanimine
CID 15954167
4-[[5-[(1S)-2,2-dimethylcyclopropyl]-1,3,4-oxadiazol-2-yl]methoxy]benzonitrile
CID 125419241
2-cyclobutyl-5-[(1S)-1-(2-methylphenoxy)propyl]-1,3,4-oxadiazole
CID 164630108
2-[(1S)-1-(2-methylphenoxy)propyl]-5-(oxan-4-yl)-1,3,4-oxadiazole
CID 164634348
2-[[4-[(3R)-oxolan-3-yl]phenoxy]methyl]-5-propan-2-yl-1,3,4-oxadiazole
CID 164636007
4-[2-[[5-[(4-Fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethoxy]benzonitrile
CID 17482312
2-Methylsulfanyl-5-[[4-(trifluoromethyl)phenoxy]methyl]-1,3,4-oxadiazole
CID 141471102
2,6-Difluoro-4-[(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)methoxy]benzonitrile
CID 141471114
2-Methylsulfanyl-5-[[3-(trifluoromethyl)phenoxy]methyl]-1,3,4-oxadiazole
CID 141471131

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzonitrile?
The IUPAC name of 2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzonitrile (CID 7999217) is 2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzonitrile.
What is the SMILES notation for 2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzonitrile?
The canonical SMILES for 2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzonitrile is Cc1nnc(COc2ccccc2C#N)o1.
What is the InChIKey of 2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzonitrile?
The InChIKey is WYFKAOZIBVFUTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O2/c1-8-13-14-11(16-8)7-15-10-5-3-2-4-9(10)6-12/h2-5H,7H2,1H3.
What are the key properties of 2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzonitrile?
2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzonitrile has a molecular weight of 215.21 g/mol, XLogP of 1.83, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzonitrile is sourced from PubChem (CID 7999217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).