CAS 885660-33-3

N-(2-Cyanophenyl)-3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolecarboxamide

Description:

N-(2-Cyanophenyl)-3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolecarboxamide, with the CAS number 885660-33-3, is a synthetic organic compound characterized by its isoxazole core, which is a five-membered heterocyclic ring containing both nitrogen and oxygen. This compound features a carboxamide functional group, contributing to its potential biological activity. The presence of the cyanophenyl and dichlorophenyl substituents indicates that it may exhibit significant lipophilicity, which can influence its solubility and permeability in biological systems. The dichlorophenyl group suggests potential for interactions with various biological targets, possibly enhancing its pharmacological properties. Additionally, the methyl group at the 5-position of the isoxazole ring may affect the compound's steric and electronic properties, potentially influencing its reactivity and binding affinity. Overall, this compound may be of interest in medicinal chemistry, particularly in the development of pharmaceuticals targeting specific biological pathways. However, detailed studies would be necessary to elucidate its full chemical behavior and potential applications.

Formula: C₁₈H₁₁Cl₂N₃O₂

InChI: InChI=1S/C18H11Cl2N3O2/c1-10-15(18(24)22-14-8-3-2-5-11(14)9-21)17(23-25-10)16-12(19)6-4-7-13(16)20/h2-8H,1H3,(H,22,24)

InChI key: InChIKey=QRJMCXFISFQYCC-UHFFFAOYSA-N

SMILES: C(NC1=C(C#N)C=CC=C1)(=O)C=2C(=NOC2C)C3=C(Cl)C=CC=C3Cl

Synonyms:

• 4-Isoxazolecarboxamide, N-(2-cyanophenyl)-3-(2,6-dichlorophenyl)-5-methyl-
• N-(2-Cyanophenyl)-3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolecarboxamide