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

C15H12N2O2 — CID 14835400

IUPAC2-(3-phenyl-2,1-benzoxazol-7-yl)acetamide
SMILESNC(=O)Cc1cccc2c(-c3ccccc3)onc12
InChIInChI=1S/C15H12N2O2/c16-13(18)9-11-7-4-8-12-14(11)17-19-15(12)10-5-2-1-3-6-10/h1-8H,9H2,(H2,16,18)
InChIKeyIRAMIADJXUEWCW-UHFFFAOYSA-N
MW252.27 g/mol
LogP2.52
Rot. Bonds3

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

2-(3-phenyl-2,1-benzoxazol-7-yl)acetamide (PubChem CID 14835400) has the molecular formula C15H12N2O2 and a molecular weight of 252.27 g/mol. Its IUPAC name is 2-(3-phenyl-2,1-benzoxazol-7-yl)acetamide.

Molecular Properties

Compound Name2-(3-phenyl-2,1-benzoxazol-7-yl)acetamide
PubChem CID14835400
Molecular FormulaC15H12N2O2
Molecular Weight252.27 g/mol
Exact Mass252.09
IUPAC Name2-(3-phenyl-2,1-benzoxazol-7-yl)acetamide
SMILESNC(=O)Cc1cccc2c(-c3ccccc3)onc12
InChIInChI=1S/C15H12N2O2/c16-13(18)9-11-7-4-8-12-14(11)17-19-15(12)10-5-2-1-3-6-10/h1-8H,9H2,(H2,16,18)
InChIKeyIRAMIADJXUEWCW-UHFFFAOYSA-N
XLogP2.52
TPSA69.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(3-phenyl-2,1-benzoxazol-7-yl)acetamide 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)acetamide?
The IUPAC name of 2-(3-phenyl-2,1-benzoxazol-7-yl)acetamide (CID 14835400) is 2-(3-phenyl-2,1-benzoxazol-7-yl)acetamide.
What is the SMILES notation for 2-(3-phenyl-2,1-benzoxazol-7-yl)acetamide?
The canonical SMILES for 2-(3-phenyl-2,1-benzoxazol-7-yl)acetamide is NC(=O)Cc1cccc2c(-c3ccccc3)onc12.
What is the InChIKey of 2-(3-phenyl-2,1-benzoxazol-7-yl)acetamide?
The InChIKey is IRAMIADJXUEWCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2/c16-13(18)9-11-7-4-8-12-14(11)17-19-15(12)10-5-2-1-3-6-10/h1-8H,9H2,(H2,16,18).
What are the key properties of 2-(3-phenyl-2,1-benzoxazol-7-yl)acetamide?
2-(3-phenyl-2,1-benzoxazol-7-yl)acetamide has a molecular weight of 252.27 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 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)acetamide is sourced from PubChem (CID 14835400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).