ChemSpider 2D Image | 1-[{[3-(4-Chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}(3-methoxybenzyl)amino]-3-isobutoxy-2-propanol | C25H33ClN2O4

1-[{[3-(4-Chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}(3-methoxybenzyl)amino]-3-isobutoxy-2-propanol

  • Molecular FormulaC25H33ClN2O4
  • Average mass460.993 Da
  • Monoisotopic mass460.212891 Da
  • ChemSpider ID22673676

More details:

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

1-[{[3-(4-Chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}(3-methoxybenzyl)amino]-3-isobutoxy-2-propanol [ACD/IUPAC Name]
1-[{[3-(4-Chlorophényl)-4,5-dihydro-1,2-oxazol-5-yl]méthyl}(3-méthoxybenzyl)amino]-3-isobutoxy-2-propanol [French] [ACD/IUPAC Name]
1-[{[3-(4-Chlorphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}(3-methoxybenzyl)amino]-3-isobutoxy-2-propanol [German] [ACD/IUPAC Name]
2-Propanol, 1-[[[3-(4-chlorophenyl)-4,5-dihydro-5-isoxazolyl]methyl][(3-methoxyphenyl)methyl]amino]-3-(2-methylpropoxy)- [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: 583.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 91.7±3.0 kJ/mol
Flash Point: 306.6±32.9 °C
Index of Refraction: 1.564
Molar Refractivity: 126.2±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 5.42
ACD/LogD (pH 5.5): 2.89
ACD/BCF (pH 5.5): 40.52
ACD/KOC (pH 5.5): 186.40
ACD/LogD (pH 7.4): 4.23
ACD/BCF (pH 7.4): 896.04
ACD/KOC (pH 7.4): 4121.68
Polar Surface Area: 64 Å2
Polarizability: 50.0±0.5 10-24cm3
Surface Tension: 40.4±7.0 dyne/cm
Molar Volume: 388.1±7.0 cm3

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