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CAS 126428-97-5

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(4S,5R)-4-(Fluoromethyl)-4,5-dihydro-5-[4-(methylsulfonyl)phenyl]-2-phenyloxazole

Description:
The chemical substance known as (4S,5R)-4-(Fluoromethyl)-4,5-dihydro-5-[4-(methylsulfonyl)phenyl]-2-phenyloxazole, with the CAS number 126428-97-5, is characterized by its complex molecular structure, which includes a fluoromethyl group and a methylsulfonyl-substituted phenyl moiety. This compound features a bicyclic oxazole ring, contributing to its potential biological activity. The stereochemistry indicated by the (4S,5R) configuration suggests specific spatial arrangements of atoms, which can significantly influence the compound's reactivity and interaction with biological targets. The presence of the fluoromethyl group may enhance lipophilicity, potentially affecting its pharmacokinetic properties. Additionally, the methylsulfonyl group can impart unique electronic characteristics, influencing the compound's overall stability and reactivity. Such structural features make this compound of interest in medicinal chemistry, particularly in the development of pharmaceuticals. Its specific interactions and applications would depend on further studies, including biological assays and structure-activity relationship analyses.
Formula:C17H16FNO3S
InChI:InChI=1/C17H16FNO3S/c1-23(20,21)14-9-7-12(8-10-14)16-15(11-18)19-17(22-16)13-5-3-2-4-6-13/h2-10,15-16H,11H2,1H3/t15-,16-/m1/s1
InChI key:InChIKey=AMZCJDBNQOWJJF-HZPDHXFCSA-N
SMILES:C(F)[C@@H]1[C@H](OC(=N1)C2=CC=CC=C2)C3=CC=C(S(C)(=O)=O)C=C3
Synonyms:
  • Oxazole, 4-(fluoromethyl)-4,5-dihydro-5-[4-(methylsulfonyl)phenyl]-2-phenyl-, (4S-trans)-
  • Oxazole, 4-(fluoromethyl)-4,5-dihydro-5-[4-(methylsulfonyl)phenyl]-2-phenyl-, (4S,5R)-
  • (4S,5R)-4-(Fluoromethyl)-4,5-dihydro-5-[4-(methylsulfonyl)phenyl]-2-phenyloxazole
  • (4S-trans)-4-(FluoroMethyl)-4,5-dihydro-5-[4-(Methylsulfonyl)phenyl]-2-phenyloxazole
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