CAS 1142209-49-1

4-[3-[2-[(4-Fluorobenzoyl)methylamino]ethyl]-1,2,4-oxadiazol-5-yl]benzoic acid

Description:

4-[3-[2-[(4-Fluorobenzoyl)methylamino]ethyl]-1,2,4-oxadiazol-5-yl]benzoic acid is a chemical compound characterized by its complex structure, which includes a benzoic acid moiety and an oxadiazole ring. The presence of a fluorine atom in the 4-position of the benzoyl group contributes to its unique electronic properties, potentially enhancing its reactivity and solubility in organic solvents. The oxadiazole ring is known for its stability and is often associated with biological activity, making this compound of interest in medicinal chemistry. The compound may exhibit various functional properties, such as potential anti-inflammatory or antimicrobial activities, due to the presence of the carboxylic acid group and the oxadiazole structure. Its synthesis typically involves multi-step organic reactions, and it may be characterized using techniques such as NMR spectroscopy, mass spectrometry, and infrared spectroscopy to confirm its structure and purity. Overall, this compound represents a class of bioactive molecules that could be explored for pharmaceutical applications.

Formula: C₁₉H₁₆FN₃O₄

InChI: InChI=1S/C19H16FN3O4/c1-23(18(24)13-6-8-15(20)9-7-13)11-10-16-21-17(27-22-16)12-2-4-14(5-3-12)19(25)26/h2-9H,10-11H2,1H3,(H,25,26)

InChI key: InChIKey=RYMRDWRTIULIBA-UHFFFAOYSA-N

SMILES: C(CN(C(=O)C1=CC=C(F)C=C1)C)C=2N=C(ON2)C3=CC=C(C(O)=O)C=C3

Synonyms:

• Benzoic acid, 4-[3-[2-[(4-fluorobenzoyl)methylamino]ethyl]-1,2,4-oxadiazol-5-yl]-
• 4-[3-[2-[(4-Fluorobenzoyl)methylamino]ethyl]-1,2,4-oxadiazol-5-yl]benzoic acid