CAS 944907-14-6

5-(1,1-Dimethylethyl)-1,3,4-oxadiazole-2-carboxylic acid

Description:

5-(1,1-Dimethylethyl)-1,3,4-oxadiazole-2-carboxylic acid is a heterocyclic organic compound characterized by the presence of an oxadiazole ring, which consists of two nitrogen atoms and three carbon atoms in a five-membered ring structure. The compound features a carboxylic acid functional group, contributing to its acidic properties. The presence of the tert-butyl group (1,1-dimethylethyl) enhances its lipophilicity and steric bulk, which can influence its reactivity and interactions with biological systems. This compound may exhibit potential applications in pharmaceuticals, agrochemicals, or as a building block in organic synthesis due to its unique structural features. Its molecular structure allows for various functionalization possibilities, making it a versatile compound in chemical research. Additionally, the oxadiazole moiety is known for its biological activity, which may include antimicrobial or anti-inflammatory properties, although specific biological data would depend on empirical studies. As with any chemical substance, safety and handling precautions should be observed, particularly in laboratory settings.

Formula: C₇H₁₀N₂O₃

InChI: InChI=1S/C7H10N2O3/c1-7(2,3)6-9-8-4(12-6)5(10)11/h1-3H3,(H,10,11)

InChI key: InChIKey=GICHIVOHAVLORQ-UHFFFAOYSA-N

SMILES: C(C)(C)(C)C=1OC(C(O)=O)=NN1

Synonyms:

• 5-(1,1-Dimethylethyl)-1,3,4-oxadiazole-2-carboxylic acid
• 1,3,4-Oxadiazole-2-carboxylic acid, 5-(1,1-dimethylethyl)-