2-(5-chloro-3-phenyl-2,1-benzoxazol-7-yl)-N,N-dimethylacetamide

C17H15ClN2O2 — CID 19867806

IUPAC2-(5-chloro-3-phenyl-2,1-benzoxazol-7-yl)-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cc1cc(Cl)cc2c(-c3ccccc3)onc12
InChIInChI=1S/C17H15ClN2O2/c1-20(2)15(21)9-12-8-13(18)10-14-16(12)19-22-17(14)11-6-4-3-5-7-11/h3-8,10H,9H2,1-2H3
InChIKeyOLJJWNMHJQJCDL-UHFFFAOYSA-N
MW314.77 g/mol
LogP3.78
Rot. Bonds3

About 2-(5-chloro-3-phenyl-2,1-benzoxazol-7-yl)-N,N-dimethylacetamide

2-(5-chloro-3-phenyl-2,1-benzoxazol-7-yl)-N,N-dimethylacetamide (PubChem CID 19867806) has the molecular formula C17H15ClN2O2 and a molecular weight of 314.77 g/mol. Its IUPAC name is 2-(5-chloro-3-phenyl-2,1-benzoxazol-7-yl)-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-(5-chloro-3-phenyl-2,1-benzoxazol-7-yl)-N,N-dimethylacetamide
PubChem CID19867806
Molecular FormulaC17H15ClN2O2
Molecular Weight314.77 g/mol
Exact Mass314.08
IUPAC Name2-(5-chloro-3-phenyl-2,1-benzoxazol-7-yl)-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cc1cc(Cl)cc2c(-c3ccccc3)onc12
InChIInChI=1S/C17H15ClN2O2/c1-20(2)15(21)9-12-8-13(18)10-14-16(12)19-22-17(14)11-6-4-3-5-7-11/h3-8,10H,9H2,1-2H3
InChIKeyOLJJWNMHJQJCDL-UHFFFAOYSA-N
XLogP3.78
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.77
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(5-chloro-3-phenyl-2,1-benzoxazol-7-yl)-N,N-dimethylacetamide 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-3-phenyl-2,1-benzoxazol-7-yl)-N,N-dimethylacetamide?
The IUPAC name of 2-(5-chloro-3-phenyl-2,1-benzoxazol-7-yl)-N,N-dimethylacetamide (CID 19867806) is 2-(5-chloro-3-phenyl-2,1-benzoxazol-7-yl)-N,N-dimethylacetamide.
What is the SMILES notation for 2-(5-chloro-3-phenyl-2,1-benzoxazol-7-yl)-N,N-dimethylacetamide?
The canonical SMILES for 2-(5-chloro-3-phenyl-2,1-benzoxazol-7-yl)-N,N-dimethylacetamide is CN(C)C(=O)Cc1cc(Cl)cc2c(-c3ccccc3)onc12.
What is the InChIKey of 2-(5-chloro-3-phenyl-2,1-benzoxazol-7-yl)-N,N-dimethylacetamide?
The InChIKey is OLJJWNMHJQJCDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O2/c1-20(2)15(21)9-12-8-13(18)10-14-16(12)19-22-17(14)11-6-4-3-5-7-11/h3-8,10H,9H2,1-2H3.
What are the key properties of 2-(5-chloro-3-phenyl-2,1-benzoxazol-7-yl)-N,N-dimethylacetamide?
2-(5-chloro-3-phenyl-2,1-benzoxazol-7-yl)-N,N-dimethylacetamide has a molecular weight of 314.77 g/mol, XLogP of 3.78, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-3-phenyl-2,1-benzoxazol-7-yl)-N,N-dimethylacetamide is sourced from PubChem (CID 19867806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).