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

C18H14Cl2N2O2 — CID 1015763

IUPACN-(5-chloro-2-methylphenyl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1ccc(Cl)cc1NC(=O)c1c(-c2ccccc2Cl)noc1C
InChIInChI=1S/C18H14Cl2N2O2/c1-10-7-8-12(19)9-15(10)21-18(23)16-11(2)24-22-17(16)13-5-3-4-6-14(13)20/h3-9H,1-2H3,(H,21,23)
InChIKeyFQBOEVWIVUGOMM-UHFFFAOYSA-N
MW361.23 g/mol
LogP5.52
Rot. Bonds3

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

N-(5-chloro-2-methylphenyl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 1015763) has the molecular formula C18H14Cl2N2O2 and a molecular weight of 361.23 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID1015763
Molecular FormulaC18H14Cl2N2O2
Molecular Weight361.23 g/mol
Exact Mass360.04
IUPAC NameN-(5-chloro-2-methylphenyl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1ccc(Cl)cc1NC(=O)c1c(-c2ccccc2Cl)noc1C
InChIInChI=1S/C18H14Cl2N2O2/c1-10-7-8-12(19)9-15(10)21-18(23)16-11(2)24-22-17(16)13-5-3-4-6-14(13)20/h3-9H,1-2H3,(H,21,23)
InChIKeyFQBOEVWIVUGOMM-UHFFFAOYSA-N
XLogP5.52
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.23
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide (CID 1015763) is N-(5-chloro-2-methylphenyl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide is Cc1ccc(Cl)cc1NC(=O)c1c(-c2ccccc2Cl)noc1C.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is FQBOEVWIVUGOMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2N2O2/c1-10-7-8-12(19)9-15(10)21-18(23)16-11(2)24-22-17(16)13-5-3-4-6-14(13)20/h3-9H,1-2H3,(H,21,23).
What are the key properties of N-(5-chloro-2-methylphenyl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide?
N-(5-chloro-2-methylphenyl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 361.23 g/mol, XLogP of 5.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 1015763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).