CAS 1240527-55-2

Ethyl 5-(4-chlorophenyl)-1,3,4-oxadiazole-2-propanoate

Description:

Ethyl 5-(4-chlorophenyl)-1,3,4-oxadiazole-2-propanoate 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 an ethyl ester functional group, contributing to its solubility and reactivity. The presence of the 4-chlorophenyl group indicates that it has a chlorinated aromatic substituent, which can influence its biological activity and chemical properties. Typically, compounds like this may exhibit interesting pharmacological properties, making them of interest in medicinal chemistry. The oxadiazole moiety is often associated with various biological activities, including antimicrobial and anti-inflammatory effects. Additionally, the compound's structure suggests potential applications in agrochemicals or as intermediates in organic synthesis. Its specific characteristics, such as melting point, boiling point, and solubility, would depend on the molecular interactions and the presence of functional groups, which can be further explored through experimental data.

Formula: C₁₃H₁₃ClN₂O₃

InChI: InChI=1S/C13H13ClN2O3/c1-2-18-12(17)8-7-11-15-16-13(19-11)9-3-5-10(14)6-4-9/h3-6H,2,7-8H2,1H3

InChI key: InChIKey=VFCLZKCTZSQYSJ-UHFFFAOYSA-N

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

Synonyms:

• 1,3,4-Oxadiazole-2-propanoic acid, 5-(4-chlorophenyl)-, ethyl ester
• Ethyl 5-(4-chlorophenyl)-1,3,4-oxadiazole-2-propanoate

Ethyl 3-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]propanoate

CAS: 1240527-55-2

Versatile small molecule scaffold

Formula: C₁₃H₁₃ClN₂O₃

Purity: Min. 95%

Molecular weight: 280.7 g/mol

Ref: 3D-QZB52755