CAS 1461709-28-3

1,1-Dimethylethyl hexahydro-2-[5-(1-methylethyl)-1,2,4-oxadiazol-3-yl]-1H-azepine-1-carboxylate

Description:

1,1-Dimethylethyl hexahydro-2-[5-(1-methylethyl)-1,2,4-oxadiazol-3-yl]-1H-azepine-1-carboxylate, identified by CAS number 1461709-28-3, is a chemical compound characterized by its complex structure, which includes a hexahydro-azepine ring and an oxadiazole moiety. This compound features a carboxylate functional group, contributing to its potential reactivity and solubility properties. The presence of dimethyl groups suggests steric hindrance, which may influence its interactions with other molecules. The oxadiazole ring is known for its applications in pharmaceuticals and agrochemicals, often imparting biological activity. The compound's overall structure indicates potential for diverse applications, possibly in medicinal chemistry or as a synthetic intermediate. Its stability, solubility, and reactivity would depend on the specific conditions, such as pH and solvent, making it essential to consider these factors in practical applications. Further studies would be necessary to elucidate its full range of properties and potential uses in various fields.

Formula: C₁₆H₂₇N₃O₃

InChI: InChI=1S/C16H27N3O3/c1-11(2)14-17-13(18-22-14)12-9-7-6-8-10-19(12)15(20)21-16(3,4)5/h11-12H,6-10H2,1-5H3

InChI key: InChIKey=PRVHOQRNAFZMQL-UHFFFAOYSA-N

SMILES: C(OC(C)(C)C)(=O)N1C(CCCCC1)C=2N=C(C(C)C)ON2

Synonyms:

• 1,1-Dimethylethyl hexahydro-2-[5-(1-methylethyl)-1,2,4-oxadiazol-3-yl]-1H-azepine-1-carboxylate
• 1H-Azepine-1-carboxylic acid, hexahydro-2-[5-(1-methylethyl)-1,2,4-oxadiazol-3-yl]-, 1,1-dimethylethyl ester

tert-Butyl 2-[5-(propan-2-yl)-1,2,4-oxadiazol-3-yl]azepane-1-carboxylate

CAS: 1461709-28-3

Versatile small molecule scaffold

Formula: C₁₆H₂₇N₃O₃

Purity: Min. 95%

Molecular weight: 309.4 g/mol

Ref: 3D-LIC70928