ChemSpider 2D Image | (4S,5S)-4-Isobutyl-5-phenyl-3-[3-(1-piperidinyl)propyl]-1,3-oxazolidin-2-one | C21H32N2O2

(4S,5S)-4-Isobutyl-5-phenyl-3-[3-(1-piperidinyl)propyl]-1,3-oxazolidin-2-one

  • Molecular FormulaC21H32N2O2
  • Average mass344.491 Da
  • Monoisotopic mass344.246368 Da
  • ChemSpider ID21252042

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(4S,5S)-4-Isobutyl-5-phenyl-3-[3-(1-piperidinyl)propyl]-1,3-oxazolidin-2-on [German] [ACD/IUPAC Name]
(4S,5S)-4-Isobutyl-5-phenyl-3-[3-(1-piperidinyl)propyl]-1,3-oxazolidin-2-one [ACD/IUPAC Name]
(4S,5S)-4-Isobutyl-5-phényl-3-[3-(1-pipéridinyl)propyl]-1,3-oxazolidin-2-one [French] [ACD/IUPAC Name]
2-Oxazolidinone, 4-(2-methylpropyl)-5-phenyl-3-[3-(1-piperidinyl)propyl]-, (4S,5S)- [ACD/Index Name]
(4S-trans)-4-(2-Methylpropyl)-5-phenyl-3-(3-(1-piperidinyl)propyl)-2-oxazolidinone
104527-98-2 [RN]
104595-91-7 [RN]
2-Oxazolidinone, 4-(2-methylpropyl)-5-phenyl-3-(3-(1-piperidinyl)propyl)-, (4S-trans)-

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.0±0.1 g/cm3
Boiling Point: 520.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.3±3.0 kJ/mol
Flash Point: 268.4±30.1 °C
Index of Refraction: 1.522
Molar Refractivity: 100.7±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.87
ACD/LogD (pH 5.5): 1.04
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.63
ACD/LogD (pH 7.4): 2.12
ACD/BCF (pH 7.4): 8.08
ACD/KOC (pH 7.4): 43.04
Polar Surface Area: 33 Å2
Polarizability: 39.9±0.5 10-24cm3
Surface Tension: 37.7±3.0 dyne/cm
Molar Volume: 330.1±3.0 cm3

Click to predict properties on the Chemicalize site


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