ChemSpider 2D Image | N-[3-(3,5-Dimethyl-1,2-oxazol-4-yl)propyl]-6-(4-isopropyl-1-piperazinyl)nicotinamide | C21H31N5O2

N-[3-(3,5-Dimethyl-1,2-oxazol-4-yl)propyl]-6-(4-isopropyl-1-piperazinyl)nicotinamide

  • Molecular FormulaC21H31N5O2
  • Average mass385.503 Da
  • Monoisotopic mass385.247772 Da
  • ChemSpider ID22194833

More details:

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

3-Pyridinecarboxamide, N-[3-(3,5-dimethyl-4-isoxazolyl)propyl]-6-[4-(1-methylethyl)-1-piperazinyl]- [ACD/Index Name]
N-[3-(3,5-Dimethyl-1,2-oxazol-4-yl)propyl]-6-(4-isopropyl-1-piperazinyl)nicotinamid [German] [ACD/IUPAC Name]
N-[3-(3,5-Dimethyl-1,2-oxazol-4-yl)propyl]-6-(4-isopropyl-1-piperazinyl)nicotinamide [ACD/IUPAC Name]
N-[3-(3,5-Diméthyl-1,2-oxazol-4-yl)propyl]-6-(4-isopropyl-1-pipérazinyl)nicotinamide [French] [ACD/IUPAC Name]
N-[3-(3,5-dimethyl-4-isoxazolyl)propyl]-6-(4-isopropyl-1-piperazinyl)nicotinamide

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

Density: 1.1±0.1 g/cm3
Boiling Point: 608.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.4±3.0 kJ/mol
Flash Point: 321.7±31.5 °C
Index of Refraction: 1.555
Molar Refractivity: 109.4±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.44
ACD/LogD (pH 5.5): -0.67
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.59
ACD/BCF (pH 7.4): 6.55
ACD/KOC (pH 7.4): 86.70
Polar Surface Area: 75 Å2
Polarizability: 43.4±0.5 10-24cm3
Surface Tension: 47.4±3.0 dyne/cm
Molar Volume: 340.7±3.0 cm3

Click to predict properties on the Chemicalize site


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