2-(5-methyl-1,3-oxazol-2-yl)benzonitrile

C11H8N2O — CID 84659525

IUPAC2-(5-methyl-1,3-oxazol-2-yl)benzonitrile
SMILESCc1cnc(-c2ccccc2C#N)o1
InChIInChI=1S/C11H8N2O/c1-8-7-13-11(14-8)10-5-3-2-4-9(10)6-12/h2-5,7H,1H3
InChIKeySJLZMHAKTZWTHG-UHFFFAOYSA-N
MW184.20 g/mol
LogP2.52
Rot. Bonds1

About 2-(5-methyl-1,3-oxazol-2-yl)benzonitrile

2-(5-methyl-1,3-oxazol-2-yl)benzonitrile (PubChem CID 84659525) has the molecular formula C11H8N2O and a molecular weight of 184.20 g/mol. Its IUPAC name is 2-(5-methyl-1,3-oxazol-2-yl)benzonitrile.

Molecular Properties

Compound Name2-(5-methyl-1,3-oxazol-2-yl)benzonitrile
PubChem CID84659525
Molecular FormulaC11H8N2O
Molecular Weight184.20 g/mol
Exact Mass184.06
IUPAC Name2-(5-methyl-1,3-oxazol-2-yl)benzonitrile
SMILESCc1cnc(-c2ccccc2C#N)o1
InChIInChI=1S/C11H8N2O/c1-8-7-13-11(14-8)10-5-3-2-4-9(10)6-12/h2-5,7H,1H3
InChIKeySJLZMHAKTZWTHG-UHFFFAOYSA-N
XLogP2.52
TPSA49.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-1,3-oxazol-2-yl)benzonitrile?
The IUPAC name of 2-(5-methyl-1,3-oxazol-2-yl)benzonitrile (CID 84659525) is 2-(5-methyl-1,3-oxazol-2-yl)benzonitrile.
What is the SMILES notation for 2-(5-methyl-1,3-oxazol-2-yl)benzonitrile?
The canonical SMILES for 2-(5-methyl-1,3-oxazol-2-yl)benzonitrile is Cc1cnc(-c2ccccc2C#N)o1.
What is the InChIKey of 2-(5-methyl-1,3-oxazol-2-yl)benzonitrile?
The InChIKey is SJLZMHAKTZWTHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O/c1-8-7-13-11(14-8)10-5-3-2-4-9(10)6-12/h2-5,7H,1H3.
What are the key properties of 2-(5-methyl-1,3-oxazol-2-yl)benzonitrile?
2-(5-methyl-1,3-oxazol-2-yl)benzonitrile has a molecular weight of 184.20 g/mol, XLogP of 2.52, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-1,3-oxazol-2-yl)benzonitrile is sourced from PubChem (CID 84659525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).