N-(4-chlorophenyl)-1,3-benzoxazole-6-carboxamide

C14H9ClN2O2 — CID 110765115

IUPACN-(4-chlorophenyl)-1,3-benzoxazole-6-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)c1ccc2ncoc2c1
InChIInChI=1S/C14H9ClN2O2/c15-10-2-4-11(5-3-10)17-14(18)9-1-6-12-13(7-9)19-8-16-12/h1-8H,(H,17,18)
InChIKeyACPLCXIQITVDNG-UHFFFAOYSA-N
MW272.69 g/mol
LogP3.73
Rot. Bonds2

About N-(4-chlorophenyl)-1,3-benzoxazole-6-carboxamide

N-(4-chlorophenyl)-1,3-benzoxazole-6-carboxamide (PubChem CID 110765115) has the molecular formula C14H9ClN2O2 and a molecular weight of 272.69 g/mol. Its IUPAC name is N-(4-chlorophenyl)-1,3-benzoxazole-6-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-1,3-benzoxazole-6-carboxamide
PubChem CID110765115
Molecular FormulaC14H9ClN2O2
Molecular Weight272.69 g/mol
Exact Mass272.04
IUPAC NameN-(4-chlorophenyl)-1,3-benzoxazole-6-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)c1ccc2ncoc2c1
InChIInChI=1S/C14H9ClN2O2/c15-10-2-4-11(5-3-10)17-14(18)9-1-6-12-13(7-9)19-8-16-12/h1-8H,(H,17,18)
InChIKeyACPLCXIQITVDNG-UHFFFAOYSA-N
XLogP3.73
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.69
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(4-chlorophenyl)-1,3-benzoxazole-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-chloro-4-methylphenyl)-1,3-benzoxazole-6-carboxamide
CID 110859301
N-(1,3-benzoxazol-6-yl)-4-(methylamino)benzamide
CID 115161080
N-(3-chloro-4-fluorophenyl)-1,3-benzoxazole-5-carboxamide
CID 110388195
N-(1,3-benzoxazol-6-yl)-5-chloro-2-hydroxybenzamide
CID 175430925
N-[4-(4-methylpiperidin-1-yl)phenyl]-1,3-benzoxazole-6-carboxamide
CID 110862309
N-(4-fluorophenyl)-1,3-benzoxazole-5-carboxamide
CID 110388187
N-[2-(1,3-benzoxazol-6-yl)ethyl]-4-chlorobenzamide
CID 110790949
N-(3-methoxyphenyl)-1,3-benzoxazole-6-carboxamide
CID 110765121
N-(4-anilinophenyl)-1,3-benzoxazole-5-carboxamide
CID 108795166
N-(1,3-benzoxazol-6-yl)-2-(hydroxymethyl)pyridine-4-carboxamide
CID 115116039
N-[3-(1,3-benzoxazole-6-carbonyl)-4,5-difluorophenyl]-3-fluorobenzamide
CID 90081311
N-(1,3-benzoxazol-6-yl)pyridine-3-carboxamide;hydrochloride
CID 110778910

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-1,3-benzoxazole-6-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-1,3-benzoxazole-6-carboxamide (CID 110765115) is N-(4-chlorophenyl)-1,3-benzoxazole-6-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-1,3-benzoxazole-6-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-1,3-benzoxazole-6-carboxamide is O=C(Nc1ccc(Cl)cc1)c1ccc2ncoc2c1.
What is the InChIKey of N-(4-chlorophenyl)-1,3-benzoxazole-6-carboxamide?
The InChIKey is ACPLCXIQITVDNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClN2O2/c15-10-2-4-11(5-3-10)17-14(18)9-1-6-12-13(7-9)19-8-16-12/h1-8H,(H,17,18).
What are the key properties of N-(4-chlorophenyl)-1,3-benzoxazole-6-carboxamide?
N-(4-chlorophenyl)-1,3-benzoxazole-6-carboxamide has a molecular weight of 272.69 g/mol, XLogP of 3.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-1,3-benzoxazole-6-carboxamide is sourced from PubChem (CID 110765115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).