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CAS 40019-35-0

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Ethyl 5-(4-chlorophenyl)-1,2,4-oxadiazole-3-carboxylate

Description:
Ethyl 5-(4-chlorophenyl)-1,2,4-oxadiazole-3-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. This compound features a carboxylate ester functional group, contributing to its reactivity and potential applications in organic synthesis. The presence of the 4-chlorophenyl group enhances its lipophilicity and may influence its biological activity, making it of interest in pharmaceutical research. Ethyl 5-(4-chlorophenyl)-1,2,4-oxadiazole-3-carboxylate is typically a solid at room temperature and may exhibit moderate solubility in organic solvents. Its unique structure allows for various chemical modifications, which can lead to derivatives with diverse properties. The compound's CAS number, 40019-35-0, serves as a unique identifier in chemical databases, facilitating its study and application in various fields, including medicinal chemistry and agrochemicals. Overall, this compound's characteristics make it a valuable subject for further investigation in chemical research.
Formula:C11H9ClN2O3
InChI:InChI=1S/C11H9ClN2O3/c1-2-16-11(15)9-13-10(17-14-9)7-3-5-8(12)6-4-7/h3-6H,2H2,1H3
InChI key:InChIKey=OOSCXFAGAAVOHX-UHFFFAOYSA-N
SMILES:C(OCC)(=O)C=1N=C(ON1)C2=CC=C(Cl)C=C2
Synonyms:
  • 1,2,4-Oxadiazole-3-carboxylic acid, 5-(4-chlorophenyl)-, ethyl ester
  • Ethyl 5-(4-chlorophenyl)-1,2,4-oxadiazole-3-carboxylate
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