(4S,5R)-4-Isobutyl-5-Phenyl-3-[3-(1-Piperidinyl)Propyl]-1,3-Oxazolidin-2-One

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Properties Simple | Detailed

Formula C21H32N2O2
IUPAC Name (4s,5r)-4-isobutyl-5-phenyl-3-[3-(1-piperidyl)propyl]oxazolidin-2-one
Molecular Mass 344.491 g·mol−1
Heat of Formation -394.6 ± 16.7 kJ·mol−1
Dipole Moment 6.20 ± 1.08 D
Volume 450.12 Å 3
Surface Area 337.6 Å 2
HOMO Energy -9.11 ± 0.55 eV
LUMO Energy 0.07 ± eV
Point Group Symmetry C1
Synonyms
  • (4s,5r)-4-(2-methylpropyl)-5-phenyl-3-(3-piperidin-1-ylpropyl)-1,3-oxazolidin-2-one
  • (4s,5r)-4-isobutyl-5-phenyl-3-(3-piperidinopropyl)oxazolidin-2-one
  • (4s,5r)-4-isobutyl-5-phenyl-3-[3-(1-piperidyl)propyl]-2-oxazolidinone
  • (4s,5r)-4-isobutyl-5-phenyl-3-[3-(1-piperidyl)propyl]oxazolidin-2-one
  • (4s-cis)-4-(2-methylpropyl)-5-phenyl-3-(3-(1-piperidinyl)propyl)-2-oxazolidinone
  • 2-oxazolidinone, 4-(2-methylpropyl)-5-phenyl-3-(3-(1-piperidinyl)propyl)-, (4s-cis)-
CAS Number(s)
  • 104527-96-0
InChIKey AXRKILQEHPABMB-VQTJNVASSA-N
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