Cas no 1166756-75-7 (Methyl 3-(5-ethyl-1,2,4-oxadiazol-3-yl)benzoate)

Methyl 3-(5-ethyl-1,2,4-oxadiazol-3-yl)benzoate is a benzoate ester derivative incorporating a 1,2,4-oxadiazole moiety, which enhances its utility as an intermediate in organic synthesis and pharmaceutical research. The presence of the oxadiazole ring contributes to its stability and potential bioactivity, making it valuable for the development of novel therapeutic agents. The ethyl substitution at the 5-position of the oxadiazole ring may influence electronic and steric properties, allowing for tailored reactivity in coupling or functionalization reactions. This compound is particularly useful in medicinal chemistry for scaffold diversification and as a precursor in the synthesis of heterocyclic compounds. Its well-defined structure ensures reproducibility in research applications.
Methyl 3-(5-ethyl-1,2,4-oxadiazol-3-yl)benzoate structure
1166756-75-7 structure
Product Name:Methyl 3-(5-ethyl-1,2,4-oxadiazol-3-yl)benzoate
CAS No:1166756-75-7
MF:C12H12N2O3
MW:232.235282897949
MDL:MFCD12198871
CID:1056141
PubChem ID:53429638
Update Time:2025-06-07

Methyl 3-(5-ethyl-1,2,4-oxadiazol-3-yl)benzoate Chemical and Physical Properties

Names and Identifiers

    • Methyl 3-(5-ethyl-1,2,4-oxadiazol-3-yl)benzoate
    • 3-(5-ethyl-1,2,4-oxadiazol-3-yl)Benzoic acid methyl ester
    • SY005715
    • MFCD12198871
    • A893546
    • Methyl3-(5-Ethyl-1,2,4-oxadiazol-3-yl)benzoate
    • CS-0441424
    • DB-014658
    • AC3055
    • 1166756-75-7
    • MDL： MFCD12198871
    • Inchi： 1S/C12H12N2O3/c1-3-10-13-11(14-17-10)8-5-4-6-9(7-8)12(15)16-2/h4-7H,3H2,1-2H3
    • InChI Key： ZMZWEVVWKCLHFX-UHFFFAOYSA-N
    • SMILES： O1C(CC)=NC(C2C=CC=C(C(=O)OC)C=2)=N1

Computed Properties

  • Exact Mass: 232.08500
  • Monoisotopic Mass: 232.08479225g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 4
  • Complexity: 273
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.5
  • Topological Polar Surface Area: 65.2?2

Experimental Properties

  • PSA: 65.22000
  • LogP: 2.08560

Methyl 3-(5-ethyl-1,2,4-oxadiazol-3-yl)benzoate Customs Data

  • HS CODE：2934999090
  • Customs Data：

    China Customs Code:

    2934999090

    Overview:

    2934999090. Other heterocyclic compounds. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

Methyl 3-(5-ethyl-1,2,4-oxadiazol-3-yl)benzoate Pricemore >>

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