CAS 1086398-45-9

2-(Chloromethyl)-5-(4-methoxy-3-methylphenyl)-1,3,4-oxadiazole

Description:

2-(Chloromethyl)-5-(4-methoxy-3-methylphenyl)-1,3,4-oxadiazole is a chemical compound characterized by its oxadiazole ring, which is a five-membered heterocyclic structure containing two nitrogen atoms and three carbon atoms. This compound features a chloromethyl group, which enhances its reactivity, and a substituted phenyl group that includes a methoxy and a methyl group, contributing to its overall hydrophobicity and potential biological activity. The presence of the methoxy group can influence the compound's solubility and electronic properties, making it of interest in medicinal chemistry and material science. The oxadiazole moiety is known for its applications in pharmaceuticals, agrochemicals, and as a building block in organic synthesis. Additionally, the compound's structure suggests potential for interactions with biological targets, which may lead to various pharmacological effects. Its specific properties, such as melting point, boiling point, and solubility, would need to be determined through experimental methods or detailed literature review for practical applications.

Formula: C₁₁H₁₁ClN₂O₂

InChI: InChI=1S/C11H11ClN2O2/c1-7-5-8(3-4-9(7)15-2)11-14-13-10(6-12)16-11/h3-5H,6H2,1-2H3

InChI key: InChIKey=QKDBIJYXMMABAW-UHFFFAOYSA-N

SMILES: C(Cl)C=1OC(=NN1)C2=CC(C)=C(OC)C=C2

Synonyms:

• 1,3,4-Oxadiazole, 2-(chloromethyl)-5-(4-methoxy-3-methylphenyl)-
• 2-(Chloromethyl)-5-(4-methoxy-3-methylphenyl)-1,3,4-oxadiazole