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

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Properties Simple | Detailed

Formula C22H34N2O2
IUPAC Name (4s,5r)-3-[3-(azepan-1-yl)propyl]-4-isobutyl-5-phenyl-oxazolidin-2-one
Molecular Mass 358.518 g·mol−1
Heat of Formation -387.2 ± 16.7 kJ·mol−1
Dipole Moment 5.96 ± 1.08 D
Volume 473.23 Å 3
Surface Area 369.07 Å 2
HOMO Energy -8.71 ± 0.55 eV
LUMO Energy -0.01 ± eV
Point Group Symmetry C1
Synonyms
  • (+)-(4s,5r)-3-(3-(hexahydro-1h-azepin-1-yl)propyl)-4-isobutyl-5-phenyl-2-oxazolidinone
  • (4s,5r)-3-[3-(1-azepanyl)propyl]-4-isobutyl-5-phenyl-2-oxazolidinone
  • (4s,5r)-3-[3-(azepan-1-yl)propyl]-4-(2-methylpropyl)-5-phenyl-1,3-oxazolidin-2-one
  • (4s,5r)-3-[3-(azepan-1-yl)propyl]-4-isobutyl-5-phenyl-oxazolidin-2-one
  • 2-oxazolidinone, 3-(3-(hexahydro-1h-azepin-1-yl)propyl)-4-(2-methylpropyl)-5-phenyl-, (4s-cis)-
  • ipenoxazone
  • mlv 6976
  • mlv-6976
  • nc 1200
  • nc-1200
CAS Number(s)
  • 104454-71-9
InChIKey DQNMZSIJHFEYTM-LEWJYISDSA-N
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