Cas no 16112-19-9 (Isoxazole,5-(4-methylphenyl)-3-phenyl-)

Isoxazole,5-(4-methylphenyl)-3-phenyl- structure
16112-19-9 structure
Product Name:Isoxazole,5-(4-methylphenyl)-3-phenyl-
CAS No:16112-19-9
MF:C16H13NO
MW:235.280524015427
CID:162017
PubChem ID:296680
Update Time:2025-04-19

Isoxazole,5-(4-methylphenyl)-3-phenyl- Chemical and Physical Properties

Names and Identifiers

    • Isoxazole,5-(4-methylphenyl)-3-phenyl-
    • 5-(4-methylphenyl)-3-phenyl-1,2-oxazole
    • 3-phenyl-5-(4-tolyl)-isoxazole
    • 3-Phenyl-5-p-tolyl-isoxazol
    • 3-phenyl-5-p-tolylisoxazole
    • 3-phenyl-5-p-tolyl-isoxazole
    • 5-(4'-methylphenyl)-3-phenylisoxazole
    • 5-(4-methylphenyl)-3-phenylisoxazole
    • 5-(p-methylphenyl)-3-phenyl-2-isoxazole
    • AC1L6QGS
    • HMS2211G18
    • Isoxazole, 3-phenyl-5-p-tolyl-
    • NSC167130
    • Isoxazole, 5-(4-methylphenyl)-3-phenyl-
    • MLS001242722
    • CHEMBL1522470
    • DTXSID30304740
    • cid_296680
    • SMR000841528
    • SCHEMBL11646186
    • BDBM76753
    • NSC-167130
    • 16112-19-9
    • 3-phenyl-5-(p-tolyl)isoxazole
    • HMS3328D09
    • Inchi: 1S/C16H13NO/c1-12-7-9-14(10-8-12)16-11-15(17-18-16)13-5-3-2-4-6-13/h2-11H,1H3
    • InChI Key: DTBZUMKAINUIIW-UHFFFAOYSA-N
    • SMILES: O1C(=CC(C2C=CC=CC=2)=N1)C1C=CC(C)=CC=1

Computed Properties

  • Exact Mass: 235.09979
  • Monoisotopic Mass: 235.099714038g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 2
  • Complexity: 254
  • 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: 4.1
  • Topological Polar Surface Area: 26?2

Experimental Properties

  • PSA: 26.03
  • LogP: 4.31700
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