Cas no 38955-11-2 (3-Methylisoxazole-5-carboxaMide)

3-Methylisoxazole-5-carboxaMide structure
38955-11-2 structure
Product Name:3-Methylisoxazole-5-carboxaMide
CAS No:38955-11-2
MF:C5H6N2O2
MW:126.113340854645
CID:840330
PubChem ID:13560096
Update Time:2025-04-19

3-Methylisoxazole-5-carboxaMide Chemical and Physical Properties

Names and Identifiers

    • 3-Methylisoxazole-5-carboxaMide
    • 3-Methyl-1,2-oxazole-5-carboxamide
    • 38955-11-2
    • SCHEMBL353474
    • CS-0359913
    • DTXSID80543849
    • DB-357233
    • AKOS009056313
    • MDL: MFCD16104695
    • Inchi: 1S/C5H6N2O2/c1-3-2-4(5(6)8)9-7-3/h2H,1H3,(H2,6,8)
    • InChI Key: MMHCFPWSEIVWCD-UHFFFAOYSA-N
    • SMILES: O1C(C(N)=O)=CC(C)=N1

Computed Properties

  • Exact Mass: 126.04298
  • Monoisotopic Mass: 126.042927438g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 1
  • Complexity: 126
  • 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
  • Topological Polar Surface Area: 69.1?2

Experimental Properties

  • PSA: 69.12

3-Methylisoxazole-5-carboxaMide Pricemore >>

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