2-(2-chloro-6-methylphenyl)-N-[(4-methoxyphenyl)methyl]-1,3-benzoxazole-6-carboxamide

C23H19ClN2O3 — CID 143659675

IUPAC2-(2-chloro-6-methylphenyl)-N-[(4-methoxyphenyl)methyl]-1,3-benzoxazole-6-carboxamide
SMILESCOc1ccc(CNC(=O)c2ccc3nc(-c4c(C)cccc4Cl)oc3c2)cc1
InChIInChI=1S/C23H19ClN2O3/c1-14-4-3-5-18(24)21(14)23-26-19-11-8-16(12-20(19)29-23)22(27)25-13-15-6-9-17(28-2)10-7-15/h3-12H,13H2,1-2H3,(H,25,27)
InChIKeyYLPJVJIOZXJUTA-UHFFFAOYSA-N
MW406.87 g/mol
LogP5.40
Rot. Bonds5

About 2-(2-chloro-6-methylphenyl)-N-[(4-methoxyphenyl)methyl]-1,3-benzoxazole-6-carboxamide

2-(2-chloro-6-methylphenyl)-N-[(4-methoxyphenyl)methyl]-1,3-benzoxazole-6-carboxamide (PubChem CID 143659675) has the molecular formula C23H19ClN2O3 and a molecular weight of 406.87 g/mol. Its IUPAC name is 2-(2-chloro-6-methylphenyl)-N-[(4-methoxyphenyl)methyl]-1,3-benzoxazole-6-carboxamide.

Molecular Properties

Compound Name2-(2-chloro-6-methylphenyl)-N-[(4-methoxyphenyl)methyl]-1,3-benzoxazole-6-carboxamide
PubChem CID143659675
Molecular FormulaC23H19ClN2O3
Molecular Weight406.87 g/mol
Exact Mass406.11
IUPAC Name2-(2-chloro-6-methylphenyl)-N-[(4-methoxyphenyl)methyl]-1,3-benzoxazole-6-carboxamide
SMILESCOc1ccc(CNC(=O)c2ccc3nc(-c4c(C)cccc4Cl)oc3c2)cc1
InChIInChI=1S/C23H19ClN2O3/c1-14-4-3-5-18(24)21(14)23-26-19-11-8-16(12-20(19)29-23)22(27)25-13-15-6-9-17(28-2)10-7-15/h3-12H,13H2,1-2H3,(H,25,27)
InChIKeyYLPJVJIOZXJUTA-UHFFFAOYSA-N
XLogP5.40
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.87
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]methyl]-3-methoxybenzamide
CID 17163458
N-[[4-(1,3-benzoxazol-2-yl)phenyl]methyl]-3-methoxybenzamide
CID 17100829
3,4-dichloro-N-[(4-methoxyphenyl)methyl]benzamide
CID 789214
N-[(3-methoxyphenyl)methyl]-2-pyridin-4-yl-1,3-benzoxazole-6-carboxamide
CID 134799606
N-[[4-(1,3-benzoxazol-2-yl)phenyl]methyl]-4-methoxybenzamide
CID 17100815
N-[(3-methoxyphenyl)methyl]-2-propan-2-yl-1,3-benzoxazole-6-carboxamide
CID 53089540
N-[(1-ethylpyrazol-4-yl)methyl]-2-(3-methoxyphenyl)-1,3-benzoxazole-6-carboxamide
CID 25299123
N-[[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]methyl]-3-propan-2-yloxybenzamide
CID 17163482
3-N-[(3-methoxyphenyl)methyl]-1-N-[(4-methoxyphenyl)methyl]benzene-1,3-dicarboxamide
CID 10272573
2-(3-methoxyphenyl)-N-(2H-tetrazol-5-ylmethyl)-1,3-benzoxazole-6-carboxamide
CID 72864600
N-[(4-methoxyphenyl)methyl]naphthalene-2-carboxamide
CID 883831
2-methyl-N-[(4-sulfamoylphenyl)methyl]-1,3-benzoxazole-6-carboxamide
CID 77087766

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-methylphenyl)-N-[(4-methoxyphenyl)methyl]-1,3-benzoxazole-6-carboxamide?
The IUPAC name of 2-(2-chloro-6-methylphenyl)-N-[(4-methoxyphenyl)methyl]-1,3-benzoxazole-6-carboxamide (CID 143659675) is 2-(2-chloro-6-methylphenyl)-N-[(4-methoxyphenyl)methyl]-1,3-benzoxazole-6-carboxamide.
What is the SMILES notation for 2-(2-chloro-6-methylphenyl)-N-[(4-methoxyphenyl)methyl]-1,3-benzoxazole-6-carboxamide?
The canonical SMILES for 2-(2-chloro-6-methylphenyl)-N-[(4-methoxyphenyl)methyl]-1,3-benzoxazole-6-carboxamide is COc1ccc(CNC(=O)c2ccc3nc(-c4c(C)cccc4Cl)oc3c2)cc1.
What is the InChIKey of 2-(2-chloro-6-methylphenyl)-N-[(4-methoxyphenyl)methyl]-1,3-benzoxazole-6-carboxamide?
The InChIKey is YLPJVJIOZXJUTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN2O3/c1-14-4-3-5-18(24)21(14)23-26-19-11-8-16(12-20(19)29-23)22(27)25-13-15-6-9-17(28-2)10-7-15/h3-12H,13H2,1-2H3,(H,25,27).
What are the key properties of 2-(2-chloro-6-methylphenyl)-N-[(4-methoxyphenyl)methyl]-1,3-benzoxazole-6-carboxamide?
2-(2-chloro-6-methylphenyl)-N-[(4-methoxyphenyl)methyl]-1,3-benzoxazole-6-carboxamide has a molecular weight of 406.87 g/mol, XLogP of 5.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-methylphenyl)-N-[(4-methoxyphenyl)methyl]-1,3-benzoxazole-6-carboxamide is sourced from PubChem (CID 143659675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).