ChemSpider 2D Image | (2S)-2-(1-Naphthyloxy)-N-[2-(4-pyridinyl)-1,3-benzoxazol-5-yl]propanamide | C25H19N3O3

(2S)-2-(1-Naphthyloxy)-N-[2-(4-pyridinyl)-1,3-benzoxazol-5-yl]propanamide

  • Molecular FormulaC25H19N3O3
  • Average mass409.437 Da
  • Monoisotopic mass409.142639 Da
  • ChemSpider ID29403555
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(2S)-2-(1-Naphthyloxy)-N-[2-(4-pyridinyl)-1,3-benzoxazol-5-yl]propanamid [German] [ACD/IUPAC Name]
(2S)-2-(1-Naphthyloxy)-N-[2-(4-pyridinyl)-1,3-benzoxazol-5-yl]propanamide [ACD/IUPAC Name]
(2S)-2-(1-Naphtyloxy)-N-[2-(4-pyridinyl)-1,3-benzoxazol-5-yl]propanamide [French] [ACD/IUPAC Name]
(2s)-2-(Naphthalen-1-Yloxy)-N-[2-(Pyridin-4-Yl)-1,3-Benzoxazol-5-Yl]propanamide
Propanamide, 2-(1-naphthalenyloxy)-N-[2-(4-pyridinyl)-5-benzoxazolyl]-, (2S)- [ACD/Index Name]
10.1021/jm400241j
Q21

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 676.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.3±3.0 kJ/mol
Flash Point: 362.6±28.7 °C
Index of Refraction: 1.701
Molar Refractivity: 120.1±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.84
ACD/LogD (pH 5.5): 4.36
ACD/BCF (pH 5.5): 1214.67
ACD/KOC (pH 5.5): 5614.45
ACD/LogD (pH 7.4): 4.36
ACD/BCF (pH 7.4): 1216.08
ACD/KOC (pH 7.4): 5620.97
Polar Surface Area: 77 Å2
Polarizability: 47.6±0.5 10-24cm3
Surface Tension: 59.8±3.0 dyne/cm
Molar Volume: 310.6±3.0 cm3

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