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

C18H17ClN2O2 — CID 14546221

IUPAC5-(4-chlorophenyl)-3-methyl-N-(2-methylphenyl)-4,5-dihydro-1,2-oxazole-4-carboxamide
SMILESCC1=NOC(c2ccc(Cl)cc2)C1C(=O)Nc1ccccc1C
InChIInChI=1S/C18H17ClN2O2/c1-11-5-3-4-6-15(11)20-18(22)16-12(2)21-23-17(16)13-7-9-14(19)10-8-13/h3-10,16-17H,1-2H3,(H,20,22)
InChIKeyCBNDNFRBYNOTTM-UHFFFAOYSA-N
MW328.80 g/mol
LogP4.35
Rot. Bonds3

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

5-(4-chlorophenyl)-3-methyl-N-(2-methylphenyl)-4,5-dihydro-1,2-oxazole-4-carboxamide (PubChem CID 14546221) has the molecular formula C18H17ClN2O2 and a molecular weight of 328.80 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-3-methyl-N-(2-methylphenyl)-4,5-dihydro-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-3-methyl-N-(2-methylphenyl)-4,5-dihydro-1,2-oxazole-4-carboxamide
PubChem CID14546221
Molecular FormulaC18H17ClN2O2
Molecular Weight328.80 g/mol
Exact Mass328.10
IUPAC Name5-(4-chlorophenyl)-3-methyl-N-(2-methylphenyl)-4,5-dihydro-1,2-oxazole-4-carboxamide
SMILESCC1=NOC(c2ccc(Cl)cc2)C1C(=O)Nc1ccccc1C
InChIInChI=1S/C18H17ClN2O2/c1-11-5-3-4-6-15(11)20-18(22)16-12(2)21-23-17(16)13-7-9-14(19)10-8-13/h3-10,16-17H,1-2H3,(H,20,22)
InChIKeyCBNDNFRBYNOTTM-UHFFFAOYSA-N
XLogP4.35
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.80
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S,2S,3R,4S)-2-(4-chlorophenyl)-4-hydroxy-4-methyl-1-N,3-N-bis(2-methylphenyl)-6-oxocyclohexane-1,3-dicarboxamide
CID 28925198
2-N-(4-chlorophenyl)-1-N-(2-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109140926
1-N-(2,5-dichlorophenyl)-2-N-(2-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109140988
(4R)-4-(4-chlorophenyl)-6-methyl-N-(2-methylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 1068666
(6R,7S)-6-(4-chlorophenyl)-N-(2-methylphenyl)-3-phenyl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxamide
CID 40979413
2-(4-chlorophenyl)-N-(2-methylphenyl)-2-oxoacetamide
CID 94282932
(6S,7S)-6-(4-chlorophenyl)-3-ethyl-N-(2-methylphenyl)-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxamide
CID 40644166
(4S,5R)-4-(4-fluorophenyl)-6-methylidene-N-(2-methylphenyl)-2-oxo-1,3-diazinane-5-carboxamide
CID 2263309
1-(4-chloro-2-methylphenyl)-3-(2-methylphenyl)urea
CID 108894172
2,2-dimethyl-N-(2-methylphenyl)-5-oxooxolane-3-carboxamide
CID 2942110
(7R)-7-(4-chlorophenyl)-5-methyl-N-(2-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
CID 993218
1-[1-(4-chlorophenyl)cyclopropyl]-3-(2-methylphenyl)urea
CID 113215464

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-3-methyl-N-(2-methylphenyl)-4,5-dihydro-1,2-oxazole-4-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-3-methyl-N-(2-methylphenyl)-4,5-dihydro-1,2-oxazole-4-carboxamide (CID 14546221) is 5-(4-chlorophenyl)-3-methyl-N-(2-methylphenyl)-4,5-dihydro-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-3-methyl-N-(2-methylphenyl)-4,5-dihydro-1,2-oxazole-4-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-3-methyl-N-(2-methylphenyl)-4,5-dihydro-1,2-oxazole-4-carboxamide is CC1=NOC(c2ccc(Cl)cc2)C1C(=O)Nc1ccccc1C.
What is the InChIKey of 5-(4-chlorophenyl)-3-methyl-N-(2-methylphenyl)-4,5-dihydro-1,2-oxazole-4-carboxamide?
The InChIKey is CBNDNFRBYNOTTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O2/c1-11-5-3-4-6-15(11)20-18(22)16-12(2)21-23-17(16)13-7-9-14(19)10-8-13/h3-10,16-17H,1-2H3,(H,20,22).
What are the key properties of 5-(4-chlorophenyl)-3-methyl-N-(2-methylphenyl)-4,5-dihydro-1,2-oxazole-4-carboxamide?
5-(4-chlorophenyl)-3-methyl-N-(2-methylphenyl)-4,5-dihydro-1,2-oxazole-4-carboxamide has a molecular weight of 328.80 g/mol, XLogP of 4.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-3-methyl-N-(2-methylphenyl)-4,5-dihydro-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 14546221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).