N-[(2-chlorophenyl)methyl]-5-(2-methoxyphenyl)-3-methyl-1,2-oxazole-4-carboxamide

C19H17ClN2O3 — CID 46096874

IUPACN-[(2-chlorophenyl)methyl]-5-(2-methoxyphenyl)-3-methyl-1,2-oxazole-4-carboxamide
SMILESCOc1ccccc1-c1onc(C)c1C(=O)NCc1ccccc1Cl
InChIInChI=1S/C19H17ClN2O3/c1-12-17(19(23)21-11-13-7-3-5-9-15(13)20)18(25-22-12)14-8-4-6-10-16(14)24-2/h3-10H,11H2,1-2H3,(H,21,23)
InChIKeyJHGVYKMJCIGAPW-UHFFFAOYSA-N
MW356.81 g/mol
LogP4.24
Rot. Bonds5

About N-[(2-chlorophenyl)methyl]-5-(2-methoxyphenyl)-3-methyl-1,2-oxazole-4-carboxamide

N-[(2-chlorophenyl)methyl]-5-(2-methoxyphenyl)-3-methyl-1,2-oxazole-4-carboxamide (PubChem CID 46096874) has the molecular formula C19H17ClN2O3 and a molecular weight of 356.81 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-5-(2-methoxyphenyl)-3-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-5-(2-methoxyphenyl)-3-methyl-1,2-oxazole-4-carboxamide
PubChem CID46096874
Molecular FormulaC19H17ClN2O3
Molecular Weight356.81 g/mol
Exact Mass356.09
IUPAC NameN-[(2-chlorophenyl)methyl]-5-(2-methoxyphenyl)-3-methyl-1,2-oxazole-4-carboxamide
SMILESCOc1ccccc1-c1onc(C)c1C(=O)NCc1ccccc1Cl
InChIInChI=1S/C19H17ClN2O3/c1-12-17(19(23)21-11-13-7-3-5-9-15(13)20)18(25-22-12)14-8-4-6-10-16(14)24-2/h3-10H,11H2,1-2H3,(H,21,23)
InChIKeyJHGVYKMJCIGAPW-UHFFFAOYSA-N
XLogP4.24
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.81
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-3-methyl-1,2-oxazole-4-carboxamide
CID 46096877
5-(2-methoxyphenyl)-3-methyl-N-(2-pyridin-4-ylethyl)-1,2-oxazole-4-carboxamide
CID 46097081
5-(2-methoxyphenyl)-3-methyl-N-(oxolan-2-ylmethyl)-1,2-oxazole-4-carboxamide
CID 46096842
5-(2-methoxyphenyl)-3-methyl-N-(1-phenylethyl)-1,2-oxazole-4-carboxamide
CID 46096857
5-(2-chlorophenyl)-3-methyl-N-[(5-methylpyrazin-2-yl)methyl]-1,2-oxazole-4-carboxamide
CID 46097190
3-(2-chlorophenyl)-N-[(2,4-dimethoxyphenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 50805759
5-(2-chlorophenyl)-N-[2-(4-fluorophenyl)ethyl]-3-methyl-1,2-oxazole-4-carboxamide
CID 46097141
N-[(2-chlorophenyl)methyl]-3-methoxy-1,2-oxazole-5-carboxamide
CID 71802436
N-[(2-chlorophenyl)methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
CID 110691865
N-[(2-chlorophenyl)methyl]-2-(2,3,4-trimethoxyphenyl)acetamide
CID 9079447
N-[(2-chloro-6-methylphenyl)methyl]-5-(3,5-dimethoxyphenyl)-3-methyl-1,2-oxazole-4-carboxamide
CID 46097379
2-amino-6-chloro-N-[(2-methoxyphenyl)methyl]benzamide
CID 63660526

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-5-(2-methoxyphenyl)-3-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-5-(2-methoxyphenyl)-3-methyl-1,2-oxazole-4-carboxamide (CID 46096874) is N-[(2-chlorophenyl)methyl]-5-(2-methoxyphenyl)-3-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-5-(2-methoxyphenyl)-3-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-5-(2-methoxyphenyl)-3-methyl-1,2-oxazole-4-carboxamide is COc1ccccc1-c1onc(C)c1C(=O)NCc1ccccc1Cl.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-5-(2-methoxyphenyl)-3-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is JHGVYKMJCIGAPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O3/c1-12-17(19(23)21-11-13-7-3-5-9-15(13)20)18(25-22-12)14-8-4-6-10-16(14)24-2/h3-10H,11H2,1-2H3,(H,21,23).
What are the key properties of N-[(2-chlorophenyl)methyl]-5-(2-methoxyphenyl)-3-methyl-1,2-oxazole-4-carboxamide?
N-[(2-chlorophenyl)methyl]-5-(2-methoxyphenyl)-3-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 356.81 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-5-(2-methoxyphenyl)-3-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 46096874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).