ChemSpider 2D Image | (3aS,6aR)-5-[(5-Methyl-1,2,4-oxadiazol-3-yl)methyl]-3-[3-(4-morpholinyl)propyl]hexahydro-2H-pyrrolo[3,4-d][1,3]oxazol-2-one | C16H25N5O4

(3aS,6aR)-5-[(5-Methyl-1,2,4-oxadiazol-3-yl)methyl]-3-[3-(4-morpholinyl)propyl]hexahydro-2H-pyrrolo[3,4-d][1,3]oxazol-2-one

  • Molecular FormulaC16H25N5O4
  • Average mass351.401 Da
  • Monoisotopic mass351.190643 Da
  • ChemSpider ID29668132

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3aS,6aR)-5-[(5-Methyl-1,2,4-oxadiazol-3-yl)methyl]-3-[3-(4-morpholinyl)propyl]hexahydro-2H-pyrrolo[3,4-d][1,3]oxazol-2-on [German] [ACD/IUPAC Name]
(3aS,6aR)-5-[(5-Methyl-1,2,4-oxadiazol-3-yl)methyl]-3-[3-(4-morpholinyl)propyl]hexahydro-2H-pyrrolo[3,4-d][1,3]oxazol-2-one [ACD/IUPAC Name]
(3aS,6aR)-5-[(5-Méthyl-1,2,4-oxadiazol-3-yl)méthyl]-3-[3-(4-morpholinyl)propyl]hexahydro-2H-pyrrolo[3,4-d][1,3]oxazol-2-one [French] [ACD/IUPAC Name]
2H-Pyrrolo[3,4-d]oxazol-2-one, hexahydro-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-[3-(4-morpholinyl)propyl]-, (3aS,6aR)- [ACD/Index Name]
(3aS*,6aR*)-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-(3-morpholin-4-ylpropyl)hexahydro-2H-pyrrolo[3,4-d][1,3]oxazol-2-one

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

Density: 1.3±0.1 g/cm3
Boiling Point: 585.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.4±3.0 kJ/mol
Flash Point: 307.6±32.9 °C
Index of Refraction: 1.553
Molar Refractivity: 88.0±0.3 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: -0.21
ACD/LogD (pH 5.5): -2.10
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.00
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 18.67
Polar Surface Area: 84 Å2
Polarizability: 34.9±0.5 10-24cm3
Surface Tension: 52.8±3.0 dyne/cm
Molar Volume: 275.1±3.0 cm3

Click to predict properties on the Chemicalize site


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