ChemSpider 2D Image | 4-{[5-Chloro-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)-1H-pyrazol-4-yl]methyl}-1,4-oxazepan-6-ol | C14H19ClN4O3

4-{[5-Chloro-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)-1H-pyrazol-4-yl]methyl}-1,4-oxazepan-6-ol

  • Molecular FormulaC14H19ClN4O3
  • Average mass326.779 Da
  • Monoisotopic mass326.114563 Da
  • ChemSpider ID29653942

More details:

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

1,4-Oxazepin-6-ol, 4-[[5-chloro-1-methyl-3-(5-methyl-3-isoxazolyl)-1H-pyrazol-4-yl]methyl]hexahydro- [ACD/Index Name]
4-{[5-Chlor-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)-1H-pyrazol-4-yl]methyl}-1,4-oxazepan-6-ol [German] [ACD/IUPAC Name]
4-{[5-Chloro-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)-1H-pyrazol-4-yl]methyl}-1,4-oxazepan-6-ol [ACD/IUPAC Name]
4-{[5-Chloro-1-méthyl-3-(5-méthyl-1,2-oxazol-3-yl)-1H-pyrazol-4-yl]méthyl}-1,4-oxazépan-6-ol [French] [ACD/IUPAC Name]
4-{[5-chloro-1-methyl-3-(5-methylisoxazol-3-yl)-1H-pyrazol-4-yl]methyl}-1,4-oxazepan-6-ol

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

Density: 1.5±0.1 g/cm3
Boiling Point: 514.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.8±3.0 kJ/mol
Flash Point: 264.9±30.1 °C
Index of Refraction: 1.656
Molar Refractivity: 81.3±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.45
ACD/LogD (pH 5.5): 0.74
ACD/BCF (pH 5.5): 1.78
ACD/KOC (pH 5.5): 42.32
ACD/LogD (pH 7.4): 1.06
ACD/BCF (pH 7.4): 3.75
ACD/KOC (pH 7.4): 89.25
Polar Surface Area: 77 Å2
Polarizability: 32.2±0.5 10-24cm3
Surface Tension: 52.6±7.0 dyne/cm
Molar Volume: 221.3±7.0 cm3

Click to predict properties on the Chemicalize site


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