ChemSpider 2D Image | 1-[(4S)-4-Phenyl-4,5-dihydro-1,3-oxazol-2-yl]isoquinoline | C18H14N2O

1-[(4S)-4-Phenyl-4,5-dihydro-1,3-oxazol-2-yl]isoquinoline

  • Molecular FormulaC18H14N2O
  • Average mass274.317 Da
  • Monoisotopic mass274.110626 Da
  • ChemSpider ID81360925

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1-[(4S)-4-Phenyl-4,5-dihydro-1,3-oxazol-2-yl]isochinolin [German] [ACD/IUPAC Name]
1-[(4S)-4-Phényl-4,5-dihydro-1,3-oxazol-2-yl]isoquinoléine [French] [ACD/IUPAC Name]
1-[(4S)-4-Phenyl-4,5-dihydro-1,3-oxazol-2-yl]isoquinoline [ACD/IUPAC Name]
Isoquinoline, 1-[(4S)-4,5-dihydro-4-phenyl-2-oxazolyl]- [ACD/Index Name]
(4S)-2-(1-isoquinolyl)-4-phenyl-4,5-dihydrooxazole
(4S)-2-isoquinolin-1-yl-4-phenyl-4,5-dihydro-1,3-oxazole
(S)-2-(Isoquinolin-1-yl)-4-phenyl-4,5-dihydrooxazole
1-[(4S)-4-Phenyl-4,5-dihydro-2-oxazolyl]isoquinoline, 95%, (99% ee)
2058236-53-4 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 489.5±38.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 72.7±3.0 kJ/mol
Flash Point: 249.8±26.8 °C
Index of Refraction: 1.660
Molar Refractivity: 82.8±0.5 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.31
ACD/LogD (pH 5.5): 3.41
ACD/BCF (pH 5.5): 227.77
ACD/KOC (pH 5.5): 1687.13
ACD/LogD (pH 7.4): 3.41
ACD/BCF (pH 7.4): 231.35
ACD/KOC (pH 7.4): 1713.66
Polar Surface Area: 34 Å2
Polarizability: 32.8±0.5 10-24cm3
Surface Tension: 47.6±7.0 dyne/cm
Molar Volume: 224.2±7.0 cm3

Click to predict properties on the Chemicalize site


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