2-(5-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-methyl-N-phenylacetamide

C16H13ClN2O3 — CID 70689087

IUPAC2-(5-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-methyl-N-phenylacetamide
SMILESCN(C(=O)Cn1c(=O)oc2ccc(Cl)cc21)c1ccccc1
InChIInChI=1S/C16H13ClN2O3/c1-18(12-5-3-2-4-6-12)15(20)10-19-13-9-11(17)7-8-14(13)22-16(19)21/h2-9H,10H2,1H3
InChIKeyQEJHOFPSTGEQRL-UHFFFAOYSA-N
MW316.74 g/mol
LogP2.91
Rot. Bonds3

About 2-(5-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-methyl-N-phenylacetamide

2-(5-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-methyl-N-phenylacetamide (PubChem CID 70689087) has the molecular formula C16H13ClN2O3 and a molecular weight of 316.74 g/mol. Its IUPAC name is 2-(5-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-methyl-N-phenylacetamide.

Molecular Properties

Compound Name2-(5-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-methyl-N-phenylacetamide
PubChem CID70689087
Molecular FormulaC16H13ClN2O3
Molecular Weight316.74 g/mol
Exact Mass316.06
IUPAC Name2-(5-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-methyl-N-phenylacetamide
SMILESCN(C(=O)Cn1c(=O)oc2ccc(Cl)cc21)c1ccccc1
InChIInChI=1S/C16H13ClN2O3/c1-18(12-5-3-2-4-6-12)15(20)10-19-13-9-11(17)7-8-14(13)22-16(19)21/h2-9H,10H2,1H3
InChIKeyQEJHOFPSTGEQRL-UHFFFAOYSA-N
XLogP2.91
TPSA55.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.74
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(5-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-methyl-N-phenylacetamide 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-(5-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-methyl-N-phenylacetamide?
The IUPAC name of 2-(5-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-methyl-N-phenylacetamide (CID 70689087) is 2-(5-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-methyl-N-phenylacetamide.
What is the SMILES notation for 2-(5-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-methyl-N-phenylacetamide?
The canonical SMILES for 2-(5-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-methyl-N-phenylacetamide is CN(C(=O)Cn1c(=O)oc2ccc(Cl)cc21)c1ccccc1.
What is the InChIKey of 2-(5-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-methyl-N-phenylacetamide?
The InChIKey is QEJHOFPSTGEQRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O3/c1-18(12-5-3-2-4-6-12)15(20)10-19-13-9-11(17)7-8-14(13)22-16(19)21/h2-9H,10H2,1H3.
What are the key properties of 2-(5-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-methyl-N-phenylacetamide?
2-(5-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-methyl-N-phenylacetamide has a molecular weight of 316.74 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-methyl-N-phenylacetamide is sourced from PubChem (CID 70689087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).