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

C19H17ClN2O3 — CID 46097082

IUPACN-[(3-chlorophenyl)methyl]-5-(2-methoxyphenyl)-3-methyl-1,2-oxazole-4-carboxamide
SMILESCOc1ccccc1-c1onc(C)c1C(=O)NCc1cccc(Cl)c1
InChIInChI=1S/C19H17ClN2O3/c1-12-17(19(23)21-11-13-6-5-7-14(20)10-13)18(25-22-12)15-8-3-4-9-16(15)24-2/h3-10H,11H2,1-2H3,(H,21,23)
InChIKeyGWJPFLILQOJULW-UHFFFAOYSA-N
MW356.81 g/mol
LogP4.24
Rot. Bonds5

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

N-[(3-chlorophenyl)methyl]-5-(2-methoxyphenyl)-3-methyl-1,2-oxazole-4-carboxamide (PubChem CID 46097082) has the molecular formula C19H17ClN2O3 and a molecular weight of 356.81 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-5-(2-methoxyphenyl)-3-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-5-(2-methoxyphenyl)-3-methyl-1,2-oxazole-4-carboxamide
PubChem CID46097082
Molecular FormulaC19H17ClN2O3
Molecular Weight356.81 g/mol
Exact Mass356.09
IUPAC NameN-[(3-chlorophenyl)methyl]-5-(2-methoxyphenyl)-3-methyl-1,2-oxazole-4-carboxamide
SMILESCOc1ccccc1-c1onc(C)c1C(=O)NCc1cccc(Cl)c1
InChIInChI=1S/C19H17ClN2O3/c1-12-17(19(23)21-11-13-6-5-7-14(20)10-13)18(25-22-12)15-8-3-4-9-16(15)24-2/h3-10H,11H2,1-2H3,(H,21,23)
InChIKeyGWJPFLILQOJULW-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 N-[(3-chlorophenyl)methyl]-5-(2-methoxyphenyl)-3-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-5-(2-methoxyphenyl)-3-methyl-1,2-oxazole-4-carboxamide (CID 46097082) is N-[(3-chlorophenyl)methyl]-5-(2-methoxyphenyl)-3-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-5-(2-methoxyphenyl)-3-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-5-(2-methoxyphenyl)-3-methyl-1,2-oxazole-4-carboxamide is COc1ccccc1-c1onc(C)c1C(=O)NCc1cccc(Cl)c1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-5-(2-methoxyphenyl)-3-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is GWJPFLILQOJULW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O3/c1-12-17(19(23)21-11-13-6-5-7-14(20)10-13)18(25-22-12)15-8-3-4-9-16(15)24-2/h3-10H,11H2,1-2H3,(H,21,23).
What are the key properties of N-[(3-chlorophenyl)methyl]-5-(2-methoxyphenyl)-3-methyl-1,2-oxazole-4-carboxamide?
N-[(3-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-[(3-chlorophenyl)methyl]-5-(2-methoxyphenyl)-3-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 46097082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).