2-(3-benzhydryl-1,2,4-oxadiazol-5-yl)acetonitrile

C17H13N3O — CID 4962192

IUPAC2-(3-benzhydryl-1,2,4-oxadiazol-5-yl)acetonitrile
SMILESN#CCc1nc(C(c2ccccc2)c2ccccc2)no1
InChIInChI=1S/C17H13N3O/c18-12-11-15-19-17(20-21-15)16(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,16H,11H2
InChIKeyCBJIYVLYWQOWAF-UHFFFAOYSA-N
MW275.31 g/mol
LogP3.32
Rot. Bonds4

About 2-(3-benzhydryl-1,2,4-oxadiazol-5-yl)acetonitrile

2-(3-benzhydryl-1,2,4-oxadiazol-5-yl)acetonitrile (PubChem CID 4962192) has the molecular formula C17H13N3O and a molecular weight of 275.31 g/mol. Its IUPAC name is 2-(3-benzhydryl-1,2,4-oxadiazol-5-yl)acetonitrile.

Molecular Properties

Compound Name2-(3-benzhydryl-1,2,4-oxadiazol-5-yl)acetonitrile
PubChem CID4962192
Molecular FormulaC17H13N3O
Molecular Weight275.31 g/mol
Exact Mass275.11
IUPAC Name2-(3-benzhydryl-1,2,4-oxadiazol-5-yl)acetonitrile
SMILESN#CCc1nc(C(c2ccccc2)c2ccccc2)no1
InChIInChI=1S/C17H13N3O/c18-12-11-15-19-17(20-21-15)16(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,16H,11H2
InChIKeyCBJIYVLYWQOWAF-UHFFFAOYSA-N
XLogP3.32
TPSA62.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(3-benzhydryl-1,2,4-oxadiazol-5-yl)acetonitrile 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 2-(3-benzhydryl-1,2,4-oxadiazol-5-yl)acetonitrile?
The IUPAC name of 2-(3-benzhydryl-1,2,4-oxadiazol-5-yl)acetonitrile (CID 4962192) is 2-(3-benzhydryl-1,2,4-oxadiazol-5-yl)acetonitrile.
What is the SMILES notation for 2-(3-benzhydryl-1,2,4-oxadiazol-5-yl)acetonitrile?
The canonical SMILES for 2-(3-benzhydryl-1,2,4-oxadiazol-5-yl)acetonitrile is N#CCc1nc(C(c2ccccc2)c2ccccc2)no1.
What is the InChIKey of 2-(3-benzhydryl-1,2,4-oxadiazol-5-yl)acetonitrile?
The InChIKey is CBJIYVLYWQOWAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O/c18-12-11-15-19-17(20-21-15)16(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,16H,11H2.
What are the key properties of 2-(3-benzhydryl-1,2,4-oxadiazol-5-yl)acetonitrile?
2-(3-benzhydryl-1,2,4-oxadiazol-5-yl)acetonitrile has a molecular weight of 275.31 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-benzhydryl-1,2,4-oxadiazol-5-yl)acetonitrile is sourced from PubChem (CID 4962192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).