N-[3-(1,3-benzoxazol-2-yl)-4-chlorophenyl]-3-methylbenzamide

C21H15ClN2O2 — CID 1324573

IUPACN-[3-(1,3-benzoxazol-2-yl)-4-chlorophenyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2ccc(Cl)c(-c3nc4ccccc4o3)c2)c1
InChIInChI=1S/C21H15ClN2O2/c1-13-5-4-6-14(11-13)20(25)23-15-9-10-17(22)16(12-15)21-24-18-7-2-3-8-19(18)26-21/h2-12H,1H3,(H,23,25)
InChIKeyDFOUUQWFUGCROP-UHFFFAOYSA-N
MW362.82 g/mol
LogP5.71
Rot. Bonds3

About N-[3-(1,3-benzoxazol-2-yl)-4-chlorophenyl]-3-methylbenzamide

N-[3-(1,3-benzoxazol-2-yl)-4-chlorophenyl]-3-methylbenzamide (PubChem CID 1324573) has the molecular formula C21H15ClN2O2 and a molecular weight of 362.82 g/mol. Its IUPAC name is N-[3-(1,3-benzoxazol-2-yl)-4-chlorophenyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[3-(1,3-benzoxazol-2-yl)-4-chlorophenyl]-3-methylbenzamide
PubChem CID1324573
Molecular FormulaC21H15ClN2O2
Molecular Weight362.82 g/mol
Exact Mass362.08
IUPAC NameN-[3-(1,3-benzoxazol-2-yl)-4-chlorophenyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2ccc(Cl)c(-c3nc4ccccc4o3)c2)c1
InChIInChI=1S/C21H15ClN2O2/c1-13-5-4-6-14(11-13)20(25)23-15-9-10-17(22)16(12-15)21-24-18-7-2-3-8-19(18)26-21/h2-12H,1H3,(H,23,25)
InChIKeyDFOUUQWFUGCROP-UHFFFAOYSA-N
XLogP5.71
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.82
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[3-(1,3-benzoxazol-2-yl)-4-chlorophenyl]-3-methylbenzamide 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 N-[3-(1,3-benzoxazol-2-yl)-4-chlorophenyl]-3-methylbenzamide?
The IUPAC name of N-[3-(1,3-benzoxazol-2-yl)-4-chlorophenyl]-3-methylbenzamide (CID 1324573) is N-[3-(1,3-benzoxazol-2-yl)-4-chlorophenyl]-3-methylbenzamide.
What is the SMILES notation for N-[3-(1,3-benzoxazol-2-yl)-4-chlorophenyl]-3-methylbenzamide?
The canonical SMILES for N-[3-(1,3-benzoxazol-2-yl)-4-chlorophenyl]-3-methylbenzamide is Cc1cccc(C(=O)Nc2ccc(Cl)c(-c3nc4ccccc4o3)c2)c1.
What is the InChIKey of N-[3-(1,3-benzoxazol-2-yl)-4-chlorophenyl]-3-methylbenzamide?
The InChIKey is DFOUUQWFUGCROP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClN2O2/c1-13-5-4-6-14(11-13)20(25)23-15-9-10-17(22)16(12-15)21-24-18-7-2-3-8-19(18)26-21/h2-12H,1H3,(H,23,25).
What are the key properties of N-[3-(1,3-benzoxazol-2-yl)-4-chlorophenyl]-3-methylbenzamide?
N-[3-(1,3-benzoxazol-2-yl)-4-chlorophenyl]-3-methylbenzamide has a molecular weight of 362.82 g/mol, XLogP of 5.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,3-benzoxazol-2-yl)-4-chlorophenyl]-3-methylbenzamide is sourced from PubChem (CID 1324573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).