2-(3-phenyl-2,1-benzoxazol-7-yl)acetonitrile

C15H10N2O — CID 15634757

IUPAC2-(3-phenyl-2,1-benzoxazol-7-yl)acetonitrile
SMILESN#CCc1cccc2c(-c3ccccc3)onc12
InChIInChI=1S/C15H10N2O/c16-10-9-11-7-4-8-13-14(11)17-18-15(13)12-5-2-1-3-6-12/h1-8H,9H2
InChIKeyVFQUQZMXNGTJME-UHFFFAOYSA-N
MW234.26 g/mol
LogP3.56
Rot. Bonds2

About 2-(3-phenyl-2,1-benzoxazol-7-yl)acetonitrile

2-(3-phenyl-2,1-benzoxazol-7-yl)acetonitrile (PubChem CID 15634757) has the molecular formula C15H10N2O and a molecular weight of 234.26 g/mol. Its IUPAC name is 2-(3-phenyl-2,1-benzoxazol-7-yl)acetonitrile.

Molecular Properties

Compound Name2-(3-phenyl-2,1-benzoxazol-7-yl)acetonitrile
PubChem CID15634757
Molecular FormulaC15H10N2O
Molecular Weight234.26 g/mol
Exact Mass234.08
IUPAC Name2-(3-phenyl-2,1-benzoxazol-7-yl)acetonitrile
SMILESN#CCc1cccc2c(-c3ccccc3)onc12
InChIInChI=1S/C15H10N2O/c16-10-9-11-7-4-8-13-14(11)17-18-15(13)12-5-2-1-3-6-12/h1-8H,9H2
InChIKeyVFQUQZMXNGTJME-UHFFFAOYSA-N
XLogP3.56
TPSA49.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(3-phenyl-2,1-benzoxazol-7-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-phenyl-2,1-benzoxazol-7-yl)acetonitrile?
The IUPAC name of 2-(3-phenyl-2,1-benzoxazol-7-yl)acetonitrile (CID 15634757) is 2-(3-phenyl-2,1-benzoxazol-7-yl)acetonitrile.
What is the SMILES notation for 2-(3-phenyl-2,1-benzoxazol-7-yl)acetonitrile?
The canonical SMILES for 2-(3-phenyl-2,1-benzoxazol-7-yl)acetonitrile is N#CCc1cccc2c(-c3ccccc3)onc12.
What is the InChIKey of 2-(3-phenyl-2,1-benzoxazol-7-yl)acetonitrile?
The InChIKey is VFQUQZMXNGTJME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2O/c16-10-9-11-7-4-8-13-14(11)17-18-15(13)12-5-2-1-3-6-12/h1-8H,9H2.
What are the key properties of 2-(3-phenyl-2,1-benzoxazol-7-yl)acetonitrile?
2-(3-phenyl-2,1-benzoxazol-7-yl)acetonitrile has a molecular weight of 234.26 g/mol, XLogP of 3.56, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenyl-2,1-benzoxazol-7-yl)acetonitrile is sourced from PubChem (CID 15634757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).