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CAS 889947-69-7

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3-(2-Methylphenyl)-1,2,4-oxadiazole-5-butanoic acid

Description:
3-(2-Methylphenyl)-1,2,4-oxadiazole-5-butanoic acid, identified by its CAS number 889947-69-7, 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 a butanoic acid moiety, contributing to its acidic properties, and a 2-methylphenyl group that enhances its hydrophobic characteristics. The presence of the oxadiazole ring often imparts unique electronic properties, making it of interest in various applications, including pharmaceuticals and agrochemicals. The compound may exhibit biological activity, potentially serving as a scaffold for drug development. Its solubility, stability, and reactivity can be influenced by the functional groups present, which may affect its interactions in biological systems. Overall, this compound represents a class of heterocyclic compounds that are valuable in medicinal chemistry and materials science due to their diverse properties and potential applications.
Formula:C13H14N2O3
InChI:InChI=1S/C13H14N2O3/c1-9-5-2-3-6-10(9)13-14-11(18-15-13)7-4-8-12(16)17/h2-3,5-6H,4,7-8H2,1H3,(H,16,17)
InChI key:InChIKey=KZSCBMYTAQFLFR-UHFFFAOYSA-N
SMILES:CC1=C(C=CC=C1)C=2N=C(CCCC(O)=O)ON2
Synonyms:
  • 1,2,4-Oxadiazole-5-Butanoic Acid, 3-(2-Methylphenyl)-
  • 3-(2-Methylphenyl)-1,2,4-oxadiazole-5-butanoic acid
  • 4-[3-(2-Methylphenyl)-1,2,4-oxadiazol-5-yl]butanoic acid
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