ChemSpider 2D Image | N-[2-(Dimethylamino)ethyl]-N-{[3-(4-fluorophenyl)-5-(4-methyl-1-piperazinyl)-1,2-oxazol-4-yl]methyl}propanamide | C22H32FN5O2

N-[2-(Dimethylamino)ethyl]-N-{[3-(4-fluorophenyl)-5-(4-methyl-1-piperazinyl)-1,2-oxazol-4-yl]methyl}propanamide

  • Molecular FormulaC22H32FN5O2
  • Average mass417.520 Da
  • Monoisotopic mass417.253998 Da
  • ChemSpider ID22694832

More details:

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

N-[2-(Dimethylamino)ethyl]-N-{[3-(4-fluorophenyl)-5-(4-methyl-1-piperazinyl)-1,2-oxazol-4-yl]methyl}propanamide [ACD/IUPAC Name]
N-[2-(Diméthylamino)éthyl]-N-{[3-(4-fluorophényl)-5-(4-méthyl-1-pipérazinyl)-1,2-oxazol-4-yl]méthyl}propanamide [French] [ACD/IUPAC Name]
N-[2-(Dimethylamino)ethyl]-N-{[3-(4-fluorphenyl)-5-(4-methyl-1-piperazinyl)-1,2-oxazol-4-yl]methyl}propanamid [German] [ACD/IUPAC Name]
Propanamide, N-[2-(dimethylamino)ethyl]-N-[[3-(4-fluorophenyl)-5-(4-methyl-1-piperazinyl)-4-isoxazolyl]methyl]- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 592.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.4±3.0 kJ/mol
Flash Point: 312.2±30.1 °C
Index of Refraction: 1.546
Molar Refractivity: 114.5±0.3 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 0.89
ACD/LogD (pH 5.5): -2.02
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.73
ACD/BCF (pH 7.4): 1.18
ACD/KOC (pH 7.4): 19.98
Polar Surface Area: 56 Å2
Polarizability: 45.4±0.5 10-24cm3
Surface Tension: 44.4±3.0 dyne/cm
Molar Volume: 361.8±3.0 cm3

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