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CAS 1131614-54-4

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Methyl 3-iodo-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoate

Description:
Methyl 3-iodo-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoate is a chemical compound characterized by its complex structure, which includes a benzoate moiety and a 1,2,4-oxadiazole ring. The presence of the iodine atom introduces notable reactivity, making it a potential candidate for various chemical transformations, including nucleophilic substitutions. The oxadiazole ring contributes to the compound's heterocyclic nature, which can influence its biological activity and solubility properties. This compound is typically used in organic synthesis and may have applications in pharmaceuticals or agrochemicals due to its unique functional groups. Its molecular structure suggests potential interactions with biological targets, which could be explored in medicinal chemistry. Additionally, the methyl ester group enhances its lipophilicity, potentially affecting its absorption and distribution in biological systems. Overall, Methyl 3-iodo-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoate is a versatile compound with interesting chemical properties that warrant further investigation for practical applications.
Formula:C11H9IN2O3
InChI:InChI=1S/C11H9IN2O3/c1-6-13-10(17-14-6)8-4-3-7(5-9(8)12)11(15)16-2/h3-5H,1-2H3
InChI key:InChIKey=MPTOZZTYLSYICH-UHFFFAOYSA-N
SMILES:IC1=C(C=2ON=C(C)N2)C=CC(C(OC)=O)=C1
Synonyms:
  • Methyl 3-iodo-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoate
  • Benzoic acid, 3-iodo-4-(3-methyl-1,2,4-oxadiazol-5-yl)-, methyl ester
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