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

C19H17ClN2O3 — CID 1050470

IUPAC3-(2-chlorophenyl)-N-[(2-methoxyphenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide
SMILESCOc1ccccc1CNC(=O)c1c(-c2ccccc2Cl)noc1C
InChIInChI=1S/C19H17ClN2O3/c1-12-17(18(22-25-12)14-8-4-5-9-15(14)20)19(23)21-11-13-7-3-6-10-16(13)24-2/h3-10H,11H2,1-2H3,(H,21,23)
InChIKeyLNAJSIYZOYLMDS-UHFFFAOYSA-N
MW356.81 g/mol
LogP4.24
Rot. Bonds5

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

3-(2-chlorophenyl)-N-[(2-methoxyphenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 1050470) has the molecular formula C19H17ClN2O3 and a molecular weight of 356.81 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-N-[(2-methoxyphenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-N-[(2-methoxyphenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID1050470
Molecular FormulaC19H17ClN2O3
Molecular Weight356.81 g/mol
Exact Mass356.09
IUPAC Name3-(2-chlorophenyl)-N-[(2-methoxyphenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide
SMILESCOc1ccccc1CNC(=O)c1c(-c2ccccc2Cl)noc1C
InChIInChI=1S/C19H17ClN2O3/c1-12-17(18(22-25-12)14-8-4-5-9-15(14)20)19(23)21-11-13-7-3-6-10-16(13)24-2/h3-10H,11H2,1-2H3,(H,21,23)
InChIKeyLNAJSIYZOYLMDS-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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Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-N-[(2-methoxyphenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-(2-chlorophenyl)-N-[(2-methoxyphenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide (CID 1050470) is 3-(2-chlorophenyl)-N-[(2-methoxyphenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-(2-chlorophenyl)-N-[(2-methoxyphenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-(2-chlorophenyl)-N-[(2-methoxyphenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide is COc1ccccc1CNC(=O)c1c(-c2ccccc2Cl)noc1C.
What is the InChIKey of 3-(2-chlorophenyl)-N-[(2-methoxyphenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is LNAJSIYZOYLMDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O3/c1-12-17(18(22-25-12)14-8-4-5-9-15(14)20)19(23)21-11-13-7-3-6-10-16(13)24-2/h3-10H,11H2,1-2H3,(H,21,23).
What are the key properties of 3-(2-chlorophenyl)-N-[(2-methoxyphenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide?
3-(2-chlorophenyl)-N-[(2-methoxyphenyl)methyl]-5-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 3-(2-chlorophenyl)-N-[(2-methoxyphenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 1050470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).