CAS 251912-76-2

3-Cyano-5-isoxazolecarboxylic acid

Description:

3-Cyano-5-isoxazolecarboxylic acid is a heterocyclic organic compound characterized by the presence of both a cyano group and a carboxylic acid functional group attached to an isoxazole ring. The isoxazole moiety consists of a five-membered ring containing three carbon atoms and two nitrogen atoms, contributing to its unique chemical properties. This compound is typically a white to off-white solid and is soluble in polar solvents, which is common for carboxylic acids. Its structure allows for potential applications in medicinal chemistry, particularly in the development of pharmaceuticals, due to the bioactivity often associated with isoxazole derivatives. The presence of the cyano group can enhance the compound's reactivity, making it useful in various synthetic pathways. Additionally, the compound may exhibit interesting biological activities, which can be explored in drug discovery and development. As with many chemical substances, handling should be done with care, considering safety data and potential hazards associated with its use.

Formula: C₅H₂N₂O₃

InChI: InChI=1S/C5H2N2O3/c6-2-3-1-4(5(8)9)10-7-3/h1H,(H,8,9)

InChI key: InChIKey=UHHIBNICLPTBBW-UHFFFAOYSA-N

SMILES: C(O)(=O)C1=CC(C#N)=NO1

Synonyms:

• 3-Cyano-1,2-oxazole-5-carboxylic acid
• 3-Cyano-5-isoxazolecarboxylic acid
• 5-Isoxazolecarboxylic acid, 3-cyano-

3-Cyano-1,2-oxazole-5-carboxylic acid

CAS: 251912-76-2

Versatile small molecule scaffold

Formula: C₅H₂N₂O₃

Purity: Min. 95%

Color and Shape: Powder

Molecular weight: 138.08 g/mol

Ref: 3D-BKA91276