Cas no 1017-10-3 (5-Butyl-3-phenylisoxazole)

5-Butyl-3-phenylisoxazole structure
5-Butyl-3-phenylisoxazole structure
Product Name:5-Butyl-3-phenylisoxazole
CAS No:1017-10-3
MF:C13H15NO
MW:201.264303445816
CID:2656077
PubChem ID:10241926
Update Time:2025-04-21

5-Butyl-3-phenylisoxazole Chemical and Physical Properties

Names and Identifiers

    • 5-butyl-3-phenyl-1,2-oxazole
    • 5-Butyl-3-phenylisoxazole
    • DTXSID80437178
    • DTXCID50388002
    • 1017-10-3
    • Inchi: 1S/C13H15NO/c1-2-3-9-12-10-13(14-15-12)11-7-5-4-6-8-11/h4-8,10H,2-3,9H2,1H3
    • InChI Key: GRPJGWORVDJSRE-UHFFFAOYSA-N
    • SMILES: O1C(=CC(C2C=CC=CC=2)=N1)CCCC

Computed Properties

  • Exact Mass: 201.115364g/mol
  • Monoisotopic Mass: 201.115364g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 4
  • Complexity: 177
  • 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
  • Molecular Weight: 201.26g/mol
  • XLogP3: 3.8
  • Topological Polar Surface Area: 26?2
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