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CAS 106565-71-3

:

(3S,5R,8aS)-Hexahydro-3-phenyl-5H-oxazolo[3,2-a]pyridine-5-carbonitrile

Description:
(3S,5R,8aS)-Hexahydro-3-phenyl-5H-oxazolo[3,2-a]pyridine-5-carbonitrile is a complex organic compound characterized by its bicyclic structure, which incorporates both an oxazolo and a pyridine moiety. This compound features a hexahydro framework, indicating it is saturated with hydrogen atoms, contributing to its stability and solubility in various organic solvents. The presence of a phenyl group enhances its aromatic character, potentially influencing its reactivity and interaction with biological systems. The carbonitrile functional group (-C≡N) introduces a polar character, which can affect the compound's solubility and reactivity, making it a candidate for various chemical reactions, including nucleophilic additions. The specific stereochemistry, denoted by the (3S,5R,8aS) configuration, suggests that the compound may exhibit chirality, which can have implications for its biological activity and pharmacological properties. Overall, this compound's unique structural features and functional groups make it of interest in medicinal chemistry and organic synthesis.
Formula:C14H16N2O
InChI:InChI=1S/C14H16N2O/c15-9-12-7-4-8-14-16(12)13(10-17-14)11-5-2-1-3-6-11/h1-3,5-6,12-14H,4,7-8,10H2/t12-,13-,14+/m1/s1
InChI key:InChIKey=GQHMNZGZXHZLEN-MCIONIFRSA-N
SMILES:C(#N)[C@@H]1N2[C@H](CO[C@]2(CCC1)[H])C3=CC=CC=C3
Synonyms:
  • (+)-2-Cyano-6-phenyloxazolopiperidine, [3-S-(3α,5β,8ab)]-Hexahydro-3-phenyl-5-H-oxazolo[3,2-a]pyridine-5-carbonitrile
  • (3S,5R,8aS)-(+)-Hexahydro-3-phenyl-5H-oxazolo[3,2-a]pyridine-5-carbonitrile
  • (3S,5R,8aS)-3-Phenylhexahydro-2H-oxazolo[3,2-a]pyridine-5-carbonitrile
  • 3-Phenylhexahydro-5H-[1,3]Oxazolo[3,2-a]Pyridine-5-Carbonitrile
  • 5H-Oxazolo[3,2-a]pyridine-5-carbonitrile, hexahydro-3-phenyl-, (3S,5R,8aS)-
  • 5H-Oxazolo[3,2-a]pyridine-5-carbonitrile, hexahydro-3-phenyl-, [3S-(3α,5β,8aβ)]-
  • [5H.oxazolo[3,2-a]piperidine-5-Carbonitrice,hexahydro-3-phenyl-[3alpha,5beta,8alpha,beta]
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