3-[2-oxo-5-(4-phenylphenyl)-1,3,4-oxadiazol-3-yl]propanenitrile

C17H13N3O2 — CID 14905785

IUPAC3-[2-oxo-5-(4-phenylphenyl)-1,3,4-oxadiazol-3-yl]propanenitrile
SMILESN#CCCn1nc(-c2ccc(-c3ccccc3)cc2)oc1=O
InChIInChI=1S/C17H13N3O2/c18-11-4-12-20-17(21)22-16(19-20)15-9-7-14(8-10-15)13-5-2-1-3-6-13/h1-3,5-10H,4,12H2
InChIKeyVRDKKDRDHMBJBS-UHFFFAOYSA-N
MW291.31 g/mol
LogP3.08
Rot. Bonds4

About 3-[2-oxo-5-(4-phenylphenyl)-1,3,4-oxadiazol-3-yl]propanenitrile

3-[2-oxo-5-(4-phenylphenyl)-1,3,4-oxadiazol-3-yl]propanenitrile (PubChem CID 14905785) has the molecular formula C17H13N3O2 and a molecular weight of 291.31 g/mol. Its IUPAC name is 3-[2-oxo-5-(4-phenylphenyl)-1,3,4-oxadiazol-3-yl]propanenitrile.

Molecular Properties

Compound Name3-[2-oxo-5-(4-phenylphenyl)-1,3,4-oxadiazol-3-yl]propanenitrile
PubChem CID14905785
Molecular FormulaC17H13N3O2
Molecular Weight291.31 g/mol
Exact Mass291.10
IUPAC Name3-[2-oxo-5-(4-phenylphenyl)-1,3,4-oxadiazol-3-yl]propanenitrile
SMILESN#CCCn1nc(-c2ccc(-c3ccccc3)cc2)oc1=O
InChIInChI=1S/C17H13N3O2/c18-11-4-12-20-17(21)22-16(19-20)15-9-7-14(8-10-15)13-5-2-1-3-6-13/h1-3,5-10H,4,12H2
InChIKeyVRDKKDRDHMBJBS-UHFFFAOYSA-N
XLogP3.08
TPSA71.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[2-oxo-5-(4-phenylphenyl)-1,3,4-oxadiazol-3-yl]propanenitrile 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-[2-oxo-5-(4-phenylphenyl)-1,3,4-oxadiazol-3-yl]propanenitrile?
The IUPAC name of 3-[2-oxo-5-(4-phenylphenyl)-1,3,4-oxadiazol-3-yl]propanenitrile (CID 14905785) is 3-[2-oxo-5-(4-phenylphenyl)-1,3,4-oxadiazol-3-yl]propanenitrile.
What is the SMILES notation for 3-[2-oxo-5-(4-phenylphenyl)-1,3,4-oxadiazol-3-yl]propanenitrile?
The canonical SMILES for 3-[2-oxo-5-(4-phenylphenyl)-1,3,4-oxadiazol-3-yl]propanenitrile is N#CCCn1nc(-c2ccc(-c3ccccc3)cc2)oc1=O.
What is the InChIKey of 3-[2-oxo-5-(4-phenylphenyl)-1,3,4-oxadiazol-3-yl]propanenitrile?
The InChIKey is VRDKKDRDHMBJBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O2/c18-11-4-12-20-17(21)22-16(19-20)15-9-7-14(8-10-15)13-5-2-1-3-6-13/h1-3,5-10H,4,12H2.
What are the key properties of 3-[2-oxo-5-(4-phenylphenyl)-1,3,4-oxadiazol-3-yl]propanenitrile?
3-[2-oxo-5-(4-phenylphenyl)-1,3,4-oxadiazol-3-yl]propanenitrile has a molecular weight of 291.31 g/mol, XLogP of 3.08, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-oxo-5-(4-phenylphenyl)-1,3,4-oxadiazol-3-yl]propanenitrile is sourced from PubChem (CID 14905785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).