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

C14H11N5O — CID 106526519

IUPAC3-methyl-4-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]benzonitrile
SMILESCc1cc(C#N)ccc1-c1nc(-c2cncn2C)no1
InChIInChI=1S/C14H11N5O/c1-9-5-10(6-15)3-4-11(9)14-17-13(18-20-14)12-7-16-8-19(12)2/h3-5,7-8H,1-2H3
InChIKeyWGHCVPYCVXKKRO-UHFFFAOYSA-N
MW265.28 g/mol
LogP2.32
Rot. Bonds2

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

3-methyl-4-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]benzonitrile (PubChem CID 106526519) has the molecular formula C14H11N5O and a molecular weight of 265.28 g/mol. Its IUPAC name is 3-methyl-4-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]benzonitrile.

Molecular Properties

Compound Name3-methyl-4-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]benzonitrile
PubChem CID106526519
Molecular FormulaC14H11N5O
Molecular Weight265.28 g/mol
Exact Mass265.10
IUPAC Name3-methyl-4-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]benzonitrile
SMILESCc1cc(C#N)ccc1-c1nc(-c2cncn2C)no1
InChIInChI=1S/C14H11N5O/c1-9-5-10(6-15)3-4-11(9)14-17-13(18-20-14)12-7-16-8-19(12)2/h3-5,7-8H,1-2H3
InChIKeyWGHCVPYCVXKKRO-UHFFFAOYSA-N
XLogP2.32
TPSA80.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-methyl-4-[3-(3-methylimidazol-4-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 3-methyl-4-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]benzonitrile?
The IUPAC name of 3-methyl-4-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]benzonitrile (CID 106526519) is 3-methyl-4-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]benzonitrile.
What is the SMILES notation for 3-methyl-4-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]benzonitrile?
The canonical SMILES for 3-methyl-4-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]benzonitrile is Cc1cc(C#N)ccc1-c1nc(-c2cncn2C)no1.
What is the InChIKey of 3-methyl-4-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]benzonitrile?
The InChIKey is WGHCVPYCVXKKRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N5O/c1-9-5-10(6-15)3-4-11(9)14-17-13(18-20-14)12-7-16-8-19(12)2/h3-5,7-8H,1-2H3.
What are the key properties of 3-methyl-4-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]benzonitrile?
3-methyl-4-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]benzonitrile has a molecular weight of 265.28 g/mol, XLogP of 2.32, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]benzonitrile is sourced from PubChem (CID 106526519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).