3-(2-chlorophenyl)-5-methyl-N-(1-phenylethyl)-1,2-oxazole-4-carboxamide

C19H17ClN2O2 — CID 2788459

IUPAC3-(2-chlorophenyl)-5-methyl-N-(1-phenylethyl)-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2Cl)c1C(=O)NC(C)c1ccccc1
InChIInChI=1S/C19H17ClN2O2/c1-12(14-8-4-3-5-9-14)21-19(23)17-13(2)24-22-18(17)15-10-6-7-11-16(15)20/h3-12H,1-2H3,(H,21,23)
InChIKeyCINTUKOCOXPCRV-UHFFFAOYSA-N
MW340.81 g/mol
LogP4.79
Rot. Bonds4

About 3-(2-chlorophenyl)-5-methyl-N-(1-phenylethyl)-1,2-oxazole-4-carboxamide

3-(2-chlorophenyl)-5-methyl-N-(1-phenylethyl)-1,2-oxazole-4-carboxamide (PubChem CID 2788459) has the molecular formula C19H17ClN2O2 and a molecular weight of 340.81 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-5-methyl-N-(1-phenylethyl)-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-5-methyl-N-(1-phenylethyl)-1,2-oxazole-4-carboxamide
PubChem CID2788459
Molecular FormulaC19H17ClN2O2
Molecular Weight340.81 g/mol
Exact Mass340.10
IUPAC Name3-(2-chlorophenyl)-5-methyl-N-(1-phenylethyl)-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2Cl)c1C(=O)NC(C)c1ccccc1
InChIInChI=1S/C19H17ClN2O2/c1-12(14-8-4-3-5-9-14)21-19(23)17-13(2)24-22-18(17)15-10-6-7-11-16(15)20/h3-12H,1-2H3,(H,21,23)
InChIKeyCINTUKOCOXPCRV-UHFFFAOYSA-N
XLogP4.79
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.81
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-5-methyl-N-(1-phenylethyl)-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-(2-chlorophenyl)-5-methyl-N-(1-phenylethyl)-1,2-oxazole-4-carboxamide (CID 2788459) is 3-(2-chlorophenyl)-5-methyl-N-(1-phenylethyl)-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-(2-chlorophenyl)-5-methyl-N-(1-phenylethyl)-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-(2-chlorophenyl)-5-methyl-N-(1-phenylethyl)-1,2-oxazole-4-carboxamide is Cc1onc(-c2ccccc2Cl)c1C(=O)NC(C)c1ccccc1.
What is the InChIKey of 3-(2-chlorophenyl)-5-methyl-N-(1-phenylethyl)-1,2-oxazole-4-carboxamide?
The InChIKey is CINTUKOCOXPCRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O2/c1-12(14-8-4-3-5-9-14)21-19(23)17-13(2)24-22-18(17)15-10-6-7-11-16(15)20/h3-12H,1-2H3,(H,21,23).
What are the key properties of 3-(2-chlorophenyl)-5-methyl-N-(1-phenylethyl)-1,2-oxazole-4-carboxamide?
3-(2-chlorophenyl)-5-methyl-N-(1-phenylethyl)-1,2-oxazole-4-carboxamide has a molecular weight of 340.81 g/mol, XLogP of 4.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-5-methyl-N-(1-phenylethyl)-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 2788459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).