Cas no 1194374-23-6 (5-(3-Methoxyphenyl)isoxazole)

5-(3-Methoxyphenyl)isoxazole is a versatile organic compound characterized by its isoxazole ring substituted with a methoxyphenyl group. It exhibits notable stability and reactivity, making it a valuable intermediate in the synthesis of various pharmaceuticals and agrochemicals. The presence of the methoxy group enhances its solubility and bioavailability, while the isoxazole ring confers unique electronic properties. This compound is highly sought after for its potential applications in drug discovery and material science.
5-(3-Methoxyphenyl)isoxazole structure
5-(3-Methoxyphenyl)isoxazole structure
Product Name:5-(3-Methoxyphenyl)isoxazole
CAS No:1194374-23-6
MF:C10H9NO2
MW:175.183962583542
CID:1036772
PubChem ID:64984921
Update Time:2025-10-17

5-(3-Methoxyphenyl)isoxazole Chemical and Physical Properties

Names and Identifiers

    • 5-(3-Methoxyphenyl)isoxazole
    • 5-(3-Methoxyphenyl)-1,2-oxazole
    • DB-332609
    • 1194374-23-6
    • MFCD13176591
    • AKOS014315862
    • AMY20830
    • DTXSID20734830
    • G63484
    • Isoxazole, 5-(3-methoxyphenyl)-
    • 5-(3-Methoxy-phenyl)-isoxazole
    • MDL: MFCD13176591
    • Inchi: 1S/C10H9NO2/c1-12-9-4-2-3-8(7-9)10-5-6-11-13-10/h2-7H,1H3
    • InChI Key: FDZRTKRNZFFBEC-UHFFFAOYSA-N
    • SMILES: O1C(=CC=N1)C1C=CC=C(C=1)OC

Computed Properties

  • Exact Mass: 175.063328530g/mol
  • Monoisotopic Mass: 175.063328530g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 2
  • Complexity: 163
  • 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
  • Topological Polar Surface Area: 35.3?2

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