Cas no 106833-52-7 (4-Isoxazolecarboxamide, 5-ethyl-3-methyl-N,N-bis(1-methylethyl)-)

4-Isoxazolecarboxamide, 5-ethyl-3-methyl-N,N-bis(1-methylethyl)- structure
106833-52-7 structure
Product Name:4-Isoxazolecarboxamide, 5-ethyl-3-methyl-N,N-bis(1-methylethyl)-
CAS No:106833-52-7
MF:C13H22N2O2
MW:238.325983524323
CID:1181811
PubChem ID:14715379
Update Time:2025-04-20

4-Isoxazolecarboxamide, 5-ethyl-3-methyl-N,N-bis(1-methylethyl)- Chemical and Physical Properties

Names and Identifiers

    • 4-Isoxazolecarboxamide, 5-ethyl-3-methyl-N,N-bis(1-methylethyl)-
    • 5-ethyl-3-methyl-N,N-di(propan-2-yl)-1,2-oxazole-4-carboxamide
    • 5-ethyl-N,N-diisopropyl-3-methylisoxazole-4-carboxamide
    • 106833-52-7
    • DTXSID50563291
    • Inchi: 1S/C13H22N2O2/c1-7-11-12(10(6)14-17-11)13(16)15(8(2)3)9(4)5/h8-9H,7H2,1-6H3
    • InChI Key: CAGCTVOXTAQKLK-UHFFFAOYSA-N
    • SMILES: O1C(CC)=C(C(C)=N1)C(N(C(C)C)C(C)C)=O

Computed Properties

  • Exact Mass: 238.16826
  • Monoisotopic Mass: 238.168127949g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 4
  • Complexity: 258
  • 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: 2.7
  • Topological Polar Surface Area: 46.3?2

Experimental Properties

  • PSA: 46.34

4-Isoxazolecarboxamide, 5-ethyl-3-methyl-N,N-bis(1-methylethyl)- Related Literature

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