2-[(3-chlorophenyl)methyl]-N-(2-phenylethyl)-1,3-benzoxazole-6-carboxamide

C23H19ClN2O2 — CID 53089650

IUPAC2-[(3-chlorophenyl)methyl]-N-(2-phenylethyl)-1,3-benzoxazole-6-carboxamide
SMILESO=C(NCCc1ccccc1)c1ccc2nc(Cc3cccc(Cl)c3)oc2c1
InChIInChI=1S/C23H19ClN2O2/c24-19-8-4-7-17(13-19)14-22-26-20-10-9-18(15-21(20)28-22)23(27)25-12-11-16-5-2-1-3-6-16/h1-10,13,15H,11-12,14H2,(H,25,27)
InChIKeyVEPZNSWHIUGHLW-UHFFFAOYSA-N
MW390.87 g/mol
LogP5.04
Rot. Bonds6

About 2-[(3-chlorophenyl)methyl]-N-(2-phenylethyl)-1,3-benzoxazole-6-carboxamide

2-[(3-chlorophenyl)methyl]-N-(2-phenylethyl)-1,3-benzoxazole-6-carboxamide (PubChem CID 53089650) has the molecular formula C23H19ClN2O2 and a molecular weight of 390.87 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)methyl]-N-(2-phenylethyl)-1,3-benzoxazole-6-carboxamide.

Molecular Properties

Compound Name2-[(3-chlorophenyl)methyl]-N-(2-phenylethyl)-1,3-benzoxazole-6-carboxamide
PubChem CID53089650
Molecular FormulaC23H19ClN2O2
Molecular Weight390.87 g/mol
Exact Mass390.11
IUPAC Name2-[(3-chlorophenyl)methyl]-N-(2-phenylethyl)-1,3-benzoxazole-6-carboxamide
SMILESO=C(NCCc1ccccc1)c1ccc2nc(Cc3cccc(Cl)c3)oc2c1
InChIInChI=1S/C23H19ClN2O2/c24-19-8-4-7-17(13-19)14-22-26-20-10-9-18(15-21(20)28-22)23(27)25-12-11-16-5-2-1-3-6-16/h1-10,13,15H,11-12,14H2,(H,25,27)
InChIKeyVEPZNSWHIUGHLW-UHFFFAOYSA-N
XLogP5.04
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.87
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-benzyl-N-[(3-chlorophenyl)methyl]-1,3-benzoxazole-6-carboxamide
CID 53089283
2-[(3-chlorophenyl)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-benzoxazole-6-carboxamide
CID 46354275
2-[(3-chlorophenyl)methyl]-N-[(3-fluorophenyl)methyl]-1,3-benzoxazole-6-carboxamide
CID 53089659
2-benzyl-N-(2-thiophen-2-ylethyl)-1,3-benzoxazole-6-carboxamide
CID 53089382
2-[(3-chlorophenyl)methyl]-N-(1-methylpiperidin-4-yl)-1,3-benzoxazole-6-carboxamide
CID 26335371
2-[(3-chlorophenyl)methyl]-N-(2-methoxyethyl)-N-methyl-1,3-benzoxazole-6-carboxamide
CID 42594407
2-benzyl-N-[3-[benzyl(methyl)amino]propyl]-1,3-benzoxazole-6-carboxamide
CID 53089354
2-benzyl-N-[(3-bromophenyl)methyl]-1,3-benzoxazole-6-carboxamide
CID 53089385
N-[2-(azepan-1-yl)ethyl]-2-benzyl-1,3-benzoxazole-6-carboxamide
CID 53089357
N-(2-phenylethyl)-2-pyridin-2-yl-1,3-benzoxazole-6-carboxamide
CID 134798841
N-[2-(1,3-benzoxazol-2-yl)ethyl]-2-(3-chlorophenyl)acetamide
CID 110711846
2-[(3,4-dimethoxyphenyl)methyl]-N-(2-pyridin-4-ylethyl)-1,3-benzoxazole-6-carboxamide
CID 24790294

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)methyl]-N-(2-phenylethyl)-1,3-benzoxazole-6-carboxamide?
The IUPAC name of 2-[(3-chlorophenyl)methyl]-N-(2-phenylethyl)-1,3-benzoxazole-6-carboxamide (CID 53089650) is 2-[(3-chlorophenyl)methyl]-N-(2-phenylethyl)-1,3-benzoxazole-6-carboxamide.
What is the SMILES notation for 2-[(3-chlorophenyl)methyl]-N-(2-phenylethyl)-1,3-benzoxazole-6-carboxamide?
The canonical SMILES for 2-[(3-chlorophenyl)methyl]-N-(2-phenylethyl)-1,3-benzoxazole-6-carboxamide is O=C(NCCc1ccccc1)c1ccc2nc(Cc3cccc(Cl)c3)oc2c1.
What is the InChIKey of 2-[(3-chlorophenyl)methyl]-N-(2-phenylethyl)-1,3-benzoxazole-6-carboxamide?
The InChIKey is VEPZNSWHIUGHLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN2O2/c24-19-8-4-7-17(13-19)14-22-26-20-10-9-18(15-21(20)28-22)23(27)25-12-11-16-5-2-1-3-6-16/h1-10,13,15H,11-12,14H2,(H,25,27).
What are the key properties of 2-[(3-chlorophenyl)methyl]-N-(2-phenylethyl)-1,3-benzoxazole-6-carboxamide?
2-[(3-chlorophenyl)methyl]-N-(2-phenylethyl)-1,3-benzoxazole-6-carboxamide has a molecular weight of 390.87 g/mol, XLogP of 5.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)methyl]-N-(2-phenylethyl)-1,3-benzoxazole-6-carboxamide is sourced from PubChem (CID 53089650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).