Cas no 62613-74-5 (4-Isoxazolecarboxamide, 3-ethyl-N,5-dimethyl-)

4-Isoxazolecarboxamide, 3-ethyl-N,5-dimethyl- structure
62613-74-5 structure
Product Name:4-Isoxazolecarboxamide, 3-ethyl-N,5-dimethyl-
CAS No:62613-74-5
MF:C8H12N2O2
MW:168.193081855774
CID:438217
PubChem ID:20348849
Update Time:2025-04-19

4-Isoxazolecarboxamide, 3-ethyl-N,5-dimethyl- Chemical and Physical Properties

Names and Identifiers

    • 4-Isoxazolecarboxamide, 3-ethyl-N,5-dimethyl-
    • 3-ethyl-N,5-dimethyl-1,2-oxazole-4-carboxamide
    • GNRKKEPSXSPHPJ-UHFFFAOYSA-N
    • SCHEMBL353731
    • 62613-74-5
    • 3-ethyl-N,5-dimethyl-isoxazole-4-carboxamide
    • AKOS009021071
    • 3-ethyl-5,N-dimethyl-isoxazole-4-carboxamide
    • DTXSID60605797
    • Inchi: 1S/C8H12N2O2/c1-4-6-7(8(11)9-3)5(2)12-10-6/h4H2,1-3H3,(H,9,11)
    • InChI Key: GNRKKEPSXSPHPJ-UHFFFAOYSA-N
    • SMILES: O1C(C)=C(C(NC)=O)C(CC)=N1

Computed Properties

  • Exact Mass: 168.08996
  • Monoisotopic Mass: 168.089877630g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 172
  • 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: 0.9
  • Topological Polar Surface Area: 55.1?2

Experimental Properties

  • PSA: 55.13
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