CAS 1338494-62-4

3-(Trifluoromethyl)-1,2,4-oxadiazol-5(2H)-one

Description:

3-(Trifluoromethyl)-1,2,4-oxadiazol-5(2H)-one is a heterocyclic compound characterized by the presence of a trifluoromethyl group and an oxadiazole ring. The molecular structure features a five-membered ring containing two nitrogen atoms and one oxygen atom, contributing to its unique chemical properties. This compound is known for its potential applications in medicinal chemistry and agrochemicals due to the trifluoromethyl group, which enhances lipophilicity and metabolic stability. The oxadiazole moiety is often associated with biological activity, making this compound of interest in drug development. It typically exhibits moderate to high thermal stability and may participate in various chemical reactions, including nucleophilic substitutions and cycloadditions. The presence of fluorine atoms can also influence the compound's reactivity and interaction with biological targets. Overall, 3-(Trifluoromethyl)-1,2,4-oxadiazol-5(2H)-one is a valuable compound in the field of organic synthesis and pharmaceutical research.

Formula: C₃HF₃N₂O₂

InChI: InChI=1S/C3HF3N2O2/c4-3(5,6)1-7-2(9)10-8-1/h(H,7,8,9)

InChI key: InChIKey=GEOZESGQFAKZTI-UHFFFAOYSA-N

SMILES: C(F)(F)(F)C=1NC(=O)ON1

Synonyms:

• 3-(Trifluoromethyl)-1,2,4-oxadiazol-5(2H)-one
• 1,2,4-Oxadiazol-5(2H)-one, 3-(trifluoromethyl)-
• 3-Trifluoromethyl-4,5-dihydro-1,2,4-oxadiazol-5-one