ChemSpider 2D Image | (5R)-2-(2-Hydroxyphenyl)-N-[2-(1H-imidazol-4-yl)ethyl]-5-methyl-4,5-dihydro-1,3-oxazole-4-carboxamide | C16H18N4O3

(5R)-2-(2-Hydroxyphenyl)-N-[2-(1H-imidazol-4-yl)ethyl]-5-methyl-4,5-dihydro-1,3-oxazole-4-carboxamide

  • Molecular FormulaC16H18N4O3
  • Average mass314.339 Da
  • Monoisotopic mass314.137878 Da
  • ChemSpider ID40256887

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(5R)-2-(2-Hydroxyphenyl)-N-[2-(1H-imidazol-4-yl)ethyl]-5-methyl-4,5-dihydro-1,3-oxazol-4-carboxamid [German] [ACD/IUPAC Name]
(5R)-2-(2-Hydroxyphenyl)-N-[2-(1H-imidazol-4-yl)ethyl]-5-methyl-4,5-dihydro-1,3-oxazole-4-carboxamide [ACD/IUPAC Name]
(5R)-2-(2-Hydroxyphényl)-N-[2-(1H-imidazol-4-yl)éthyl]-5-méthyl-4,5-dihydro-1,3-oxazole-4-carboxamide [French] [ACD/IUPAC Name]
4-Oxazolecarboxamide, 4,5-dihydro-2-(2-hydroxyphenyl)-N-[2-(1H-imidazol-4-yl)ethyl]-5-methyl-, (5R)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 686.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 104.3±3.0 kJ/mol
Flash Point: 369.2±31.5 °C
Index of Refraction: 1.672
Molar Refractivity: 83.8±0.5 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.18
ACD/LogD (pH 5.5): -1.11
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.37
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 26.32
Polar Surface Area: 100 Å2
Polarizability: 33.2±0.5 10-24cm3
Surface Tension: 55.2±7.0 dyne/cm
Molar Volume: 223.7±7.0 cm3

Click to predict properties on the Chemicalize site


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