ChemSpider 2D Image | (3S,4S)-3-(3-Methyl-1,2,4-oxadiazol-5-yl)-1-azabicyclo[2.2.1]heptane | C9H13N3O

(3S,4S)-3-(3-Methyl-1,2,4-oxadiazol-5-yl)-1-azabicyclo[2.2.1]heptane

  • Molecular FormulaC9H13N3O
  • Average mass179.219 Da
  • Monoisotopic mass179.105865 Da
  • ChemSpider ID23180980
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(3S,4S)-3-(3-Methyl-1,2,4-oxadiazol-5-yl)-1-azabicyclo[2.2.1]heptan [German] [ACD/IUPAC Name]
(3S,4S)-3-(3-Methyl-1,2,4-oxadiazol-5-yl)-1-azabicyclo[2.2.1]heptane [ACD/IUPAC Name]
(3S,4S)-3-(3-Méthyl-1,2,4-oxadiazol-5-yl)-1-azabicyclo[2.2.1]heptane [French] [ACD/IUPAC Name]
121564-89-4 [RN]
1-Azabicyclo[2.2.1]heptane, 3-(3-methyl-1,2,4-oxadiazol-5-yl)-, (3S,4S)- [ACD/Index Name]
rel-(1R,3R,4R)-3-(3-Methyl-1,2,4-oxadiazol-5-yl)-1-azabicyclo[2.2.1]heptane
3-(3-Methyl-[1,2,4]oxadiazol-5-yl)-1-aza-bicyclo[2.2.1]heptane
5-[(1S,3S,4S)-1-azabicyclo[2.2.1]heptan-3-yl]-3-methyl-1,2,4-oxadiazole

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

Density: 1.3±0.1 g/cm3
Boiling Point: 300.2±44.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 54.0±3.0 kJ/mol
Flash Point: 135.3±28.4 °C
Index of Refraction: 1.572
Molar Refractivity: 47.0±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.20
ACD/LogD (pH 5.5): -2.57
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.20
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.03
Polar Surface Area: 42 Å2
Polarizability: 18.6±0.5 10-24cm3
Surface Tension: 56.6±5.0 dyne/cm
Molar Volume: 142.9±5.0 cm3

Click to predict properties on the Chemicalize site






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