Cas no 81386-30-3 (5-Methyl-3-(p-tolyl)-1,2,4-oxadiazole)

5-Methyl-3-(p-tolyl)-1,2,4-oxadiazole is a heterocyclic compound featuring a 1,2,4-oxadiazole core substituted with a methyl group at the 5-position and a p-tolyl group at the 3-position. This structure imparts stability and versatility, making it useful in pharmaceutical and agrochemical research as a building block for bioactive molecules. The electron-rich aromatic system enhances its reactivity in nucleophilic and electrophilic substitutions, while the oxadiazole ring contributes to its metabolic stability. Its well-defined synthesis route allows for high purity and scalability, supporting applications in medicinal chemistry and material science. The compound’s balanced lipophilicity also makes it suitable for optimizing drug-like properties in lead optimization studies.
5-Methyl-3-(p-tolyl)-1,2,4-oxadiazole structure
81386-30-3 structure
Product Name:5-Methyl-3-(p-tolyl)-1,2,4-oxadiazole
CAS No:81386-30-3
MF:C10H10N2O
MW:174.199202060699
MDL:MFCD00085801
CID:857576
PubChem ID:270750
Update Time:2025-06-07

5-Methyl-3-(p-tolyl)-1,2,4-oxadiazole Chemical and Physical Properties

Names and Identifiers

    • 5-Methyl-3-(p-tolyl)-1,2,4-oxadiazole
    • 5-Methyl-3-(4-methylphenyl)-1,2,4-oxadiazole
    • 5-Methyl-3-p-tolyl-1,2,4-oxadiazole
    • OYGSEQYNSZOSCE-UHFFFAOYSA-N
    • BS-23402
    • 81386-30-3
    • SCHEMBL2967349
    • MFCD00085801
    • CS-0212577
    • 5-Methyl-3-(4-methylphenyl)-1,2,4-oxadiazole #
    • A864563
    • NSC-113488
    • DTXSID20297056
    • AKOS006242092
    • NSC113488
    • Sodium perchlorate hydrate
    • MDL: MFCD00085801
    • Inchi: 1S/C10H10N2O/c1-7-3-5-9(6-4-7)10-11-8(2)13-12-10/h3-6H,1-2H3
    • InChI Key: OYGSEQYNSZOSCE-UHFFFAOYSA-N
    • SMILES: O1C(C)=NC(C2C=CC(C)=CC=2)=N1

Computed Properties

  • Exact Mass: 174.07900
  • Monoisotopic Mass: 174.079312947g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 1
  • Complexity: 166
  • 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
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: nothing
  • Topological Polar Surface Area: 38.9?2

Experimental Properties

  • PSA: 38.92000
  • LogP: 2.35340

5-Methyl-3-(p-tolyl)-1,2,4-oxadiazole 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%

5-Methyl-3-(p-tolyl)-1,2,4-oxadiazole Pricemore >>

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5-Methyl-3-(p-tolyl)-1,2,4-oxadiazole Production Method

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