ChemSpider 2D Image | 2-{[4-(2,3-Difluorobenzyl)-1-piperazinyl]methyl}-N-(3-methylbutyl)-1,3-oxazole-4-carboxamide | C21H28F2N4O2

2-{[4-(2,3-Difluorobenzyl)-1-piperazinyl]methyl}-N-(3-methylbutyl)-1,3-oxazole-4-carboxamide

  • Molecular FormulaC21H28F2N4O2
  • Average mass406.469 Da
  • Monoisotopic mass406.218048 Da
  • ChemSpider ID22781366

More details:

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

2-{[4-(2,3-Difluorbenzyl)-1-piperazinyl]methyl}-N-(3-methylbutyl)-1,3-oxazol-4-carboxamid [German] [ACD/IUPAC Name]
2-{[4-(2,3-Difluorobenzyl)-1-piperazinyl]methyl}-N-(3-methylbutyl)-1,3-oxazole-4-carboxamide [ACD/IUPAC Name]
2-{[4-(2,3-Difluorobenzyl)-1-pipérazinyl]méthyl}-N-(3-méthylbutyl)-1,3-oxazole-4-carboxamide [French] [ACD/IUPAC Name]
4-Oxazolecarboxamide, 2-[[4-[(2,3-difluorophenyl)methyl]-1-piperazinyl]methyl]-N-(3-methylbutyl)- [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: 541.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.0±3.0 kJ/mol
Flash Point: 281.4±30.1 °C
Index of Refraction: 1.545
Molar Refractivity: 106.4±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 1.58
ACD/LogD (pH 5.5): 1.20
ACD/BCF (pH 5.5): 3.71
ACD/KOC (pH 5.5): 65.84
ACD/LogD (pH 7.4): 1.65
ACD/BCF (pH 7.4): 10.43
ACD/KOC (pH 7.4): 185.16
Polar Surface Area: 62 Å2
Polarizability: 42.2±0.5 10-24cm3
Surface Tension: 46.1±3.0 dyne/cm
Molar Volume: 336.4±3.0 cm3

Click to predict properties on the Chemicalize site


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