4-(2-oxo-1,3-benzoxazol-3-yl)-N-phenylbutanamide

C17H16N2O3 — CID 4822267

IUPAC4-(2-oxo-1,3-benzoxazol-3-yl)-N-phenylbutanamide
SMILESO=C(CCCn1c(=O)oc2ccccc21)Nc1ccccc1
InChIInChI=1S/C17H16N2O3/c20-16(18-13-7-2-1-3-8-13)11-6-12-19-14-9-4-5-10-15(14)22-17(19)21/h1-5,7-10H,6,11-12H2,(H,18,20)
InChIKeyFGHQHQICIPRMJN-UHFFFAOYSA-N
MW296.33 g/mol
LogP3.01
Rot. Bonds5

About 4-(2-oxo-1,3-benzoxazol-3-yl)-N-phenylbutanamide

4-(2-oxo-1,3-benzoxazol-3-yl)-N-phenylbutanamide (PubChem CID 4822267) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is 4-(2-oxo-1,3-benzoxazol-3-yl)-N-phenylbutanamide.

Molecular Properties

Compound Name4-(2-oxo-1,3-benzoxazol-3-yl)-N-phenylbutanamide
PubChem CID4822267
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC Name4-(2-oxo-1,3-benzoxazol-3-yl)-N-phenylbutanamide
SMILESO=C(CCCn1c(=O)oc2ccccc21)Nc1ccccc1
InChIInChI=1S/C17H16N2O3/c20-16(18-13-7-2-1-3-8-13)11-6-12-19-14-9-4-5-10-15(14)22-17(19)21/h1-5,7-10H,6,11-12H2,(H,18,20)
InChIKeyFGHQHQICIPRMJN-UHFFFAOYSA-N
XLogP3.01
TPSA64.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(2-oxo-1,3-benzoxazol-3-yl)-N-phenylbutanamide 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-(2-oxo-1,3-benzoxazol-3-yl)-N-phenylbutanamide?
The IUPAC name of 4-(2-oxo-1,3-benzoxazol-3-yl)-N-phenylbutanamide (CID 4822267) is 4-(2-oxo-1,3-benzoxazol-3-yl)-N-phenylbutanamide.
What is the SMILES notation for 4-(2-oxo-1,3-benzoxazol-3-yl)-N-phenylbutanamide?
The canonical SMILES for 4-(2-oxo-1,3-benzoxazol-3-yl)-N-phenylbutanamide is O=C(CCCn1c(=O)oc2ccccc21)Nc1ccccc1.
What is the InChIKey of 4-(2-oxo-1,3-benzoxazol-3-yl)-N-phenylbutanamide?
The InChIKey is FGHQHQICIPRMJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3/c20-16(18-13-7-2-1-3-8-13)11-6-12-19-14-9-4-5-10-15(14)22-17(19)21/h1-5,7-10H,6,11-12H2,(H,18,20).
What are the key properties of 4-(2-oxo-1,3-benzoxazol-3-yl)-N-phenylbutanamide?
4-(2-oxo-1,3-benzoxazol-3-yl)-N-phenylbutanamide has a molecular weight of 296.33 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-oxo-1,3-benzoxazol-3-yl)-N-phenylbutanamide is sourced from PubChem (CID 4822267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).