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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Related Compounds

5-methyl-3,6-diphenylisoxazolo[4,5-c]pyridin-4(5H)-one
CID 4250909
3-(2-Chlorophenyl)-5-methylisoxazol-4-yl 4-methylpiperazinyl ketone
CID 798832
N-[5-Methyl-3-O-tolyl-isoxazole-4-carboxylic acid amide] boronic acid
CID 2815
N-{[3-(2-Chlorophenyl)-5-Methyl-1,2-Oxazol-4-Yl]carbonyl}glycine
CID 426788
[3-(2-Chloro-phenyl)-5-methyl-isoxazol-4-yl]-piperidin-1-yl-methanone
CID 700029
5-(2-chlorophenyl)-N-cyclohexyl-3-isoxazolecarboxamide
CID 1093865
[3-(2-Chloro-6-fluorophenyl)-5-methylisoxazol-4-yl](1,4-thiazinan-4-yl)methanone
CID 2804980
[3-(2,6-Dichloro-phenyl)-5-methyl-isoxazol-4-yl]-piperidin-1-yl-methanone
CID 743794
(5-Methyl-3-phenyl-1,2-oxazol-4-yl)-pyrrolidin-1-ylmethanone
CID 822394
N4-azepan-1-yl-3-(2,6-dichlorophenyl)-5-methylisoxazole-4-carboxamide
CID 2726141
5-methyl-3-phenyl-6-(p-[dimethylaminomethyl]phenyl)-isoxazolo[4,5-c]pyridin-4(5H)-one
CID 334509
3-(2-Chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 653647

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).