ChemSpider 2D Image | 1-[{[3-(2-Fluorophenyl)-5-(4-morpholinyl)-1,2-oxazol-4-yl]methyl}(tetrahydro-2-furanylmethyl)amino]-3-(2-methylphenoxy)-2-propanol | C29H36FN3O5

1-[{[3-(2-Fluorophenyl)-5-(4-morpholinyl)-1,2-oxazol-4-yl]methyl}(tetrahydro-2-furanylmethyl)amino]-3-(2-methylphenoxy)-2-propanol

  • Molecular FormulaC29H36FN3O5
  • Average mass525.612 Da
  • Monoisotopic mass525.263916 Da
  • ChemSpider ID22695228

More details:

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

1-[{[3-(2-Fluorophenyl)-5-(4-morpholinyl)-1,2-oxazol-4-yl]methyl}(tetrahydro-2-furanylmethyl)amino]-3-(2-methylphenoxy)-2-propanol [ACD/IUPAC Name]
1-[{[3-(2-Fluorophényl)-5-(4-morpholinyl)-1,2-oxazol-4-yl]méthyl}(tétrahydro-2-furanylméthyl)amino]-3-(2-méthylphénoxy)-2-propanol [French] [ACD/IUPAC Name]
1-[{[3-(2-Fluorphenyl)-5-(4-morpholinyl)-1,2-oxazol-4-yl]methyl}(tetrahydro-2-furanylmethyl)amino]-3-(2-methylphenoxy)-2-propanol [German] [ACD/IUPAC Name]
2-Propanol, 1-[[[3-(2-fluorophenyl)-5-(4-morpholinyl)-4-isoxazolyl]methyl][(tetrahydro-2-furanyl)methyl]amino]-3-(2-methylphenoxy)- [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: 725.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 111.2±3.0 kJ/mol
Flash Point: 392.4±32.9 °C
Index of Refraction: 1.575
Molar Refractivity: 140.8±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 3.14
ACD/LogD (pH 5.5): 3.17
ACD/BCF (pH 5.5): 131.41
ACD/KOC (pH 5.5): 959.75
ACD/LogD (pH 7.4): 3.44
ACD/BCF (pH 7.4): 240.59
ACD/KOC (pH 7.4): 1757.17
Polar Surface Area: 80 Å2
Polarizability: 55.8±0.5 10-24cm3
Surface Tension: 49.9±3.0 dyne/cm
Molar Volume: 426.2±3.0 cm3

Click to predict properties on the Chemicalize site


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