4-(3-phenyl-2,5-dihydro-1,2,4-oxadiazol-5-yl)benzonitrile

C15H11N3O — CID 4564672

IUPAC4-(3-phenyl-2,5-dihydro-1,2,4-oxadiazol-5-yl)benzonitrile
SMILESN#Cc1ccc(C2N=C(c3ccccc3)NO2)cc1
InChIInChI=1S/C15H11N3O/c16-10-11-6-8-13(9-7-11)15-17-14(18-19-15)12-4-2-1-3-5-12/h1-9,15H,(H,17,18)
InChIKeyBJFXICTTWGARCG-UHFFFAOYSA-N
MW249.27 g/mol
LogP2.54
Rot. Bonds2

About 4-(3-phenyl-2,5-dihydro-1,2,4-oxadiazol-5-yl)benzonitrile

4-(3-phenyl-2,5-dihydro-1,2,4-oxadiazol-5-yl)benzonitrile (PubChem CID 4564672) has the molecular formula C15H11N3O and a molecular weight of 249.27 g/mol. Its IUPAC name is 4-(3-phenyl-2,5-dihydro-1,2,4-oxadiazol-5-yl)benzonitrile.

Molecular Properties

Compound Name4-(3-phenyl-2,5-dihydro-1,2,4-oxadiazol-5-yl)benzonitrile
PubChem CID4564672
Molecular FormulaC15H11N3O
Molecular Weight249.27 g/mol
Exact Mass249.09
IUPAC Name4-(3-phenyl-2,5-dihydro-1,2,4-oxadiazol-5-yl)benzonitrile
SMILESN#Cc1ccc(C2N=C(c3ccccc3)NO2)cc1
InChIInChI=1S/C15H11N3O/c16-10-11-6-8-13(9-7-11)15-17-14(18-19-15)12-4-2-1-3-5-12/h1-9,15H,(H,17,18)
InChIKeyBJFXICTTWGARCG-UHFFFAOYSA-N
XLogP2.54
TPSA57.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(3-phenyl-2,5-dihydro-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-(3-phenyl-2,5-dihydro-1,2,4-oxadiazol-5-yl)benzonitrile?
The IUPAC name of 4-(3-phenyl-2,5-dihydro-1,2,4-oxadiazol-5-yl)benzonitrile (CID 4564672) is 4-(3-phenyl-2,5-dihydro-1,2,4-oxadiazol-5-yl)benzonitrile.
What is the SMILES notation for 4-(3-phenyl-2,5-dihydro-1,2,4-oxadiazol-5-yl)benzonitrile?
The canonical SMILES for 4-(3-phenyl-2,5-dihydro-1,2,4-oxadiazol-5-yl)benzonitrile is N#Cc1ccc(C2N=C(c3ccccc3)NO2)cc1.
What is the InChIKey of 4-(3-phenyl-2,5-dihydro-1,2,4-oxadiazol-5-yl)benzonitrile?
The InChIKey is BJFXICTTWGARCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O/c16-10-11-6-8-13(9-7-11)15-17-14(18-19-15)12-4-2-1-3-5-12/h1-9,15H,(H,17,18).
What are the key properties of 4-(3-phenyl-2,5-dihydro-1,2,4-oxadiazol-5-yl)benzonitrile?
4-(3-phenyl-2,5-dihydro-1,2,4-oxadiazol-5-yl)benzonitrile has a molecular weight of 249.27 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-phenyl-2,5-dihydro-1,2,4-oxadiazol-5-yl)benzonitrile is sourced from PubChem (CID 4564672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).