Cas no 27144-51-0 (N,3-Dimethylisoxazole-5-carboxamide)

N,3-Dimethylisoxazole-5-carboxamide is a heterocyclic compound featuring an isoxazole core substituted with a carboxamide group and methyl groups at the N and 3 positions. This structure imparts stability and reactivity, making it a valuable intermediate in organic synthesis and pharmaceutical applications. Its well-defined molecular framework allows for precise modifications, facilitating the development of targeted bioactive molecules. The compound exhibits favorable solubility in common organic solvents, enhancing its utility in reaction schemes. Its robust synthetic accessibility and functional group compatibility make it a preferred choice for researchers exploring isoxazole-based derivatives in medicinal chemistry and agrochemical research.
N,3-Dimethylisoxazole-5-carboxamide structure
27144-51-0 structure
Product Name:N,3-Dimethylisoxazole-5-carboxamide
CAS No:27144-51-0
MF:C6H8N2O2
MW:140.139921188354
CID:250742
PubChem ID:45084125
Update Time:2025-05-28

N,3-Dimethylisoxazole-5-carboxamide Chemical and Physical Properties

Names and Identifiers

    • N,3-Dimethylisoxazole-5-carboxamide
    • 5-Isoxazolecarboxamide,N,3-dimethyl-(8CI,9CI)
    • 5-Isoxazolecarboxamide,N,3-dimethyl-
    • N,3-dimethyl-1,2-oxazole-5-carboxamide
    • N, 3-dimethyl-1, 2-oxazole-5-carboxamide
    • SCHEMBL10274852
    • FT-0744293
    • DTXSID40665556
    • 27144-51-0
    • AKOS009056399
    • DB-014901
    • Inchi： 1S/C6H8N2O2/c1-4-3-5(10-8-4)6(9)7-2/h3H,1-2H3,(H,7,9)
    • InChI Key： QEFMSOXMGVLACO-UHFFFAOYSA-N
    • SMILES： O1C(C(NC)=O)=CC(C)=N1

Computed Properties

  • Exact Mass: 140.05864
  • Monoisotopic Mass: 140.058577502g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 2
  • Complexity: 138
  • 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: 0.4
  • Topological Polar Surface Area: 55.1?2

Experimental Properties

  • PSA: 55.13

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