4-methyl-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)benzonitrile

C15H10N4O — CID 59047177

IUPAC4-methyl-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)benzonitrile
SMILESCc1ccc(C#N)cc1-c1nc(-c2ccccn2)no1
InChIInChI=1S/C15H10N4O/c1-10-5-6-11(9-16)8-12(10)15-18-14(19-20-15)13-4-2-3-7-17-13/h2-8H,1H3
InChIKeyQWLYRACQXWMXDG-UHFFFAOYSA-N
MW262.27 g/mol
LogP2.98
Rot. Bonds2

About 4-methyl-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)benzonitrile

4-methyl-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)benzonitrile (PubChem CID 59047177) has the molecular formula C15H10N4O and a molecular weight of 262.27 g/mol. Its IUPAC name is 4-methyl-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)benzonitrile.

Molecular Properties

Compound Name4-methyl-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)benzonitrile
PubChem CID59047177
Molecular FormulaC15H10N4O
Molecular Weight262.27 g/mol
Exact Mass262.09
IUPAC Name4-methyl-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)benzonitrile
SMILESCc1ccc(C#N)cc1-c1nc(-c2ccccn2)no1
InChIInChI=1S/C15H10N4O/c1-10-5-6-11(9-16)8-12(10)15-18-14(19-20-15)13-4-2-3-7-17-13/h2-8H,1H3
InChIKeyQWLYRACQXWMXDG-UHFFFAOYSA-N
XLogP2.98
TPSA75.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-methyl-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)benzonitrile?
The IUPAC name of 4-methyl-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)benzonitrile (CID 59047177) is 4-methyl-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)benzonitrile.
What is the SMILES notation for 4-methyl-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)benzonitrile?
The canonical SMILES for 4-methyl-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)benzonitrile is Cc1ccc(C#N)cc1-c1nc(-c2ccccn2)no1.
What is the InChIKey of 4-methyl-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)benzonitrile?
The InChIKey is QWLYRACQXWMXDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N4O/c1-10-5-6-11(9-16)8-12(10)15-18-14(19-20-15)13-4-2-3-7-17-13/h2-8H,1H3.
What are the key properties of 4-methyl-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)benzonitrile?
4-methyl-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)benzonitrile has a molecular weight of 262.27 g/mol, XLogP of 2.98, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)benzonitrile is sourced from PubChem (CID 59047177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).