Cas no 84661-50-7 (5-amino-3-methyl-1,2-oxazole-4-carboxylic acid)

5-Amino-3-methyl-1,2-oxazole-4-carboxylic acid is a heterocyclic compound featuring an oxazole core substituted with an amino group at the 5-position and a carboxylic acid at the 4-position. This structure makes it a versatile intermediate in organic synthesis, particularly in the development of pharmaceuticals and agrochemicals. The presence of both amino and carboxyl functional groups allows for further derivatization, enabling the synthesis of more complex molecules. Its stability under standard conditions and compatibility with common reaction conditions enhance its utility in multi-step synthetic routes. The compound is particularly valuable in medicinal chemistry for constructing biologically active scaffolds.
5-amino-3-methyl-1,2-oxazole-4-carboxylic acid structure
84661-50-7 structure
Product Name:5-amino-3-methyl-1,2-oxazole-4-carboxylic acid
CAS No:84661-50-7
MF:C5H6N2O3
MW:142.1127409935
MDL:MFCD03820629
CID:730200
PubChem ID:1265501
Update Time:2025-10-16

5-amino-3-methyl-1,2-oxazole-4-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 5-Amino-3-methylisoxazole-4-carboxylic acid
    • 4-Isoxazolecarboxylicacid, 5-amino-3-methyl-
    • 5-amino-3-methyl-1,2-oxazole-4-carboxylic acid
    • 5-amino-3-methyl-4-Isoxazolecarboxylic acid
    • MFCD03820629
    • SY065352
    • CS-0085313
    • Z96092819
    • SCHEMBL938250
    • BS-13190
    • E74259
    • 84661-50-7
    • DTXSID00361426
    • 5-Amino-3-methyl-isoxazole-4-carboxylic acid
    • EN300-14676
    • CNZBKZVKOBKIOR-UHFFFAOYSA-N
    • F2124-0461
    • AKOS001105904
    • AM101342
    • FT-0688746
    • 4-Isoxazolecarboxylic acid, 5-amino-3-methyl-
    • DB-076096
    • 5-AMINO-3-METHYL-ISOXAZOLE-4-CARBOXYLICACID
    • STK681921
    • MDL: MFCD03820629
    • Inchi: 1S/C5H6N2O3/c1-2-3(5(8)9)4(6)10-7-2/h6H2,1H3,(H,8,9)
    • InChI Key: CNZBKZVKOBKIOR-UHFFFAOYSA-N
    • SMILES: O1C(=C(C(=O)O)C(C)=N1)N

Computed Properties

  • Exact Mass: 141.030017
  • Monoisotopic Mass: 141.030017
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 1
  • Complexity: 144
  • 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
  • Topological Polar Surface Area: 92.2
  • XLogP3: 0.5

Experimental Properties

  • Density: 1.472
  • Boiling Point: 365.9°C at 760 mmHg
  • Flash Point: 175.1°C
  • Refractive Index: 1.591

5-amino-3-methyl-1,2-oxazole-4-carboxylic acid Security Information

5-amino-3-methyl-1,2-oxazole-4-carboxylic acid Customs Data

  • HS CODE:29349990

5-amino-3-methyl-1,2-oxazole-4-carboxylic acid Pricemore >>

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