ChemSpider 2D Image | 1-[(4S)-4-Benzyl-4,5-dihydro-1,3-oxazol-2-yl]isoquinoline | C19H16N2O

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

  • Molecular FormulaC19H16N2O
  • Average mass288.343 Da
  • Monoisotopic mass288.126251 Da
  • ChemSpider ID81360926

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1-[(4S)-4-Benzyl-4,5-dihydro-1,3-oxazol-2-yl]isochinolin [German] [ACD/IUPAC Name]
1-[(4S)-4-Benzyl-4,5-dihydro-1,3-oxazol-2-yl]isoquinoléine [French] [ACD/IUPAC Name]
1-[(4S)-4-Benzyl-4,5-dihydro-1,3-oxazol-2-yl]isoquinoline [ACD/IUPAC Name]
Isoquinoline, 1-[(4S)-4,5-dihydro-4-(phenylmethyl)-2-oxazolyl]- [ACD/Index Name]
(4S)-4-benzyl-2-(1-isoquinolyl)-4,5-dihydrooxazole
(4S)-4-benzyl-2-isoquinolin-1-yl-4,5-dihydro-1,3-oxazole
(S)-4-Benzyl-2-(isoquinolin-1-yl)-4,5-dihydrooxazole
1-[(4S)-4-Benzyl-4,5-dihydro-2-oxazolyl]isoquinoline, 98%, (99% ee)
2058236-52-3 [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: 491.3±18.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 72.9±3.0 kJ/mol
Flash Point: 251.0±21.2 °C
Index of Refraction: 1.648
Molar Refractivity: 87.4±0.5 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.72
ACD/LogD (pH 5.5): 3.67
ACD/BCF (pH 5.5): 360.42
ACD/KOC (pH 5.5): 2331.29
ACD/LogD (pH 7.4): 3.69
ACD/BCF (pH 7.4): 372.65
ACD/KOC (pH 7.4): 2410.42
Polar Surface Area: 34 Å2
Polarizability: 34.7±0.5 10-24cm3
Surface Tension: 46.5±7.0 dyne/cm
Molar Volume: 240.3±7.0 cm3

Click to predict properties on the Chemicalize site


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