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CAS 163719-82-2

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Ethyl 3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole-5-carboxylate

Description:
Ethyl 3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole-5-carboxylate is a chemical compound characterized by its oxadiazole ring, which is a five-membered heterocyclic structure containing two nitrogen atoms and three carbon atoms. The presence of the trifluoromethyl group (-CF3) on the phenyl ring enhances the compound's lipophilicity and may influence its biological activity. This compound is typically used in research and development, particularly in the fields of medicinal chemistry and agrochemicals, due to its potential as a building block for various pharmaceuticals and agroactive agents. Its ethyl ester functional group contributes to its solubility properties, making it suitable for various applications. The compound's unique structure may also impart specific electronic and steric properties, which can be crucial for its reactivity and interaction with biological targets. As with many fluorinated compounds, it may exhibit distinct stability and metabolic profiles, making it of interest in drug design and environmental studies.
Formula:C12H9F3N2O3
InChI:InChI=1S/C12H9F3N2O3/c1-2-19-11(18)10-16-9(17-20-10)7-3-5-8(6-4-7)12(13,14)15/h3-6H,2H2,1H3
InChI key:InChIKey=VDTVVMFQLPTAOT-UHFFFAOYSA-N
SMILES:C(OCC)(=O)C1=NC(=NO1)C2=CC=C(C(F)(F)F)C=C2
Synonyms:
  • Ethyl 3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole-5-carboxylate
  • 1,2,4-Oxadiazole-5-carboxylic acid, 3-[4-(trifluoromethyl)phenyl]-, ethyl ester
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