ChemSpider 2D Image | 1-[(2-Chlorobenzyl){[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}amino]-3-[(2-methyl-2-propanyl)oxy]-2-propanol | C25H33ClN2O4

1-[(2-Chlorobenzyl){[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}amino]-3-[(2-methyl-2-propanyl)oxy]-2-propanol

  • Molecular FormulaC25H33ClN2O4
  • Average mass460.993 Da
  • Monoisotopic mass460.212891 Da
  • ChemSpider ID22673634

More details:

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

1-[(2-Chlorbenzyl){[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}amino]-3-[(2-methyl-2-propanyl)oxy]-2-propanol [German] [ACD/IUPAC Name]
1-[(2-Chlorobenzyl){[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}amino]-3-[(2-methyl-2-propanyl)oxy]-2-propanol [ACD/IUPAC Name]
1-[(2-Chlorobenzyl){[3-(4-méthoxyphényl)-4,5-dihydro-1,2-oxazol-5-yl]méthyl}amino]-3-[(2-méthyl-2-propanyl)oxy]-2-propanol [French] [ACD/IUPAC Name]
2-Propanol, 1-[[(2-chlorophenyl)methyl][[4,5-dihydro-3-(4-methoxyphenyl)-5-isoxazolyl]methyl]amino]-3-(1,1-dimethylethoxy)- [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: 579.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 91.2±3.0 kJ/mol
Flash Point: 304.2±32.9 °C
Index of Refraction: 1.558
Molar Refractivity: 126.5±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 5.24
ACD/LogD (pH 5.5): 3.39
ACD/BCF (pH 5.5): 126.35
ACD/KOC (pH 5.5): 569.76
ACD/LogD (pH 7.4): 4.36
ACD/BCF (pH 7.4): 1184.07
ACD/KOC (pH 7.4): 5339.23
Polar Surface Area: 64 Å2
Polarizability: 50.2±0.5 10-24cm3
Surface Tension: 39.8±7.0 dyne/cm
Molar Volume: 392.6±7.0 cm3

Click to predict properties on the Chemicalize site


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