Cas no 196301-94-7 (Methyl 4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoate)

Methyl 4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoate is a heterocyclic ester compound featuring a 1,2,4-oxadiazole ring substituted with a methyl group at the 5-position and a benzoate ester at the 3-position. This structure imparts stability and reactivity, making it useful as an intermediate in pharmaceutical and agrochemical synthesis. The oxadiazole moiety contributes to its potential bioactivity, while the ester group enhances solubility and facilitates further functionalization. Its well-defined molecular architecture allows for precise modifications in medicinal chemistry applications. The compound is typically characterized by high purity and consistent performance, ensuring reliability in research and industrial processes. Proper handling and storage are recommended to maintain its integrity.
Methyl 4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoate structure
196301-94-7 structure
Product Name:Methyl 4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoate
CAS No:196301-94-7
MF:C11H10N2O3
MW:218.20870256424
MDL:MFCD12198877
CID:850723
PubChem ID:10878612
Update Time:2025-10-10

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

Names and Identifiers

    • Methyl 4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoate
    • 4-(5-Methyl-[1,2,4]oxadiazol-3-yl)-benzoic acid methyl ester
    • 4-(5-methyl-1,2,4-oxadiazol-3-yl)Benzoic acid methyl ester
    • Benzoic acid, 4-(5-methyl-1,2,4-oxadiazol-3-yl)-, methyl ester
    • 3-(4-carboxymethyl)phenyl-5-methyl-1,2,4-oxadiazole
    • AB1000559
    • DB-014672
    • DTXSID70446850
    • CS-0207617
    • AKOS015950563
    • AC5144
    • 196301-94-7
    • BCP32514
    • MFCD12198877
    • SY005724
    • AS-5348
    • WHA30194
    • Methyl4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoate
    • SCHEMBL13938063
    • MDL: MFCD12198877
    • Inchi: 1S/C11H10N2O3/c1-7-12-10(13-16-7)8-3-5-9(6-4-8)11(14)15-2/h3-6H,1-2H3
    • InChI Key: MBZDWMKGQVUJQD-UHFFFAOYSA-N
    • SMILES: O1C(C)=NC(C2C=CC(C(=O)OC)=CC=2)=N1

Computed Properties

  • Exact Mass: 218.06900
  • Monoisotopic Mass: 218.06914219g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 3
  • Complexity: 252
  • 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: 2.2
  • Topological Polar Surface Area: 65.2?2

Experimental Properties

  • PSA: 65.22000
  • LogP: 1.83160

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

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

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