CAS 70862-54-3

3-Ethyl-5-(4-fluorophenyl)isoxazole

Description:

3-Ethyl-5-(4-fluorophenyl)isoxazole is a heterocyclic organic compound characterized by its isoxazole ring, which consists of a five-membered ring containing three carbon atoms and two adjacent nitrogen atoms. The presence of an ethyl group at the 3-position and a para-fluorophenyl group at the 5-position contributes to its unique chemical properties. This compound typically exhibits moderate to high lipophilicity due to the aromatic fluorophenyl substituent, which can influence its solubility and bioavailability in various environments. The fluorine atom can enhance the compound's metabolic stability and may affect its interaction with biological targets. 3-Ethyl-5-(4-fluorophenyl)isoxazole may be of interest in medicinal chemistry for its potential pharmacological activities, including anti-inflammatory or analgesic properties, although specific biological data would be necessary to confirm such effects. Its synthesis and characterization would involve standard organic chemistry techniques, including NMR and mass spectrometry for structural confirmation. Overall, this compound represents a class of isoxazole derivatives that may have applications in drug development and chemical research.

Formula: C₁₁H₁₀FNO

InChI: InChI=1S/C11H10FNO/c1-2-10-7-11(14-13-10)8-3-5-9(12)6-4-8/h3-7H,2H2,1H3

InChI key: InChIKey=PXCOLWVVINZUJS-UHFFFAOYSA-N

SMILES: C(C)C=1C=C(ON1)C2=CC=C(F)C=C2

Synonyms:

• 3-Ethyl-5-(4-fluorophenyl)-1,2-oxazole
• 3-Ethyl-5-(4-fluorophenyl)isoxazole
• Isoxazole, 3-ethyl-5-(4-fluorophenyl)-