ChemSpider 2D Image | 3-{[(2S)-1-{1-[(3,5-Dimethyl-1,2-oxazol-4-yl)methyl]-4-piperidinyl}-4,4-difluoro-2-pyrrolidinyl]methoxy}pyridine | C21H28F2N4O2

3-{[(2S)-1-{1-[(3,5-Dimethyl-1,2-oxazol-4-yl)methyl]-4-piperidinyl}-4,4-difluoro-2-pyrrolidinyl]methoxy}pyridine

  • Molecular FormulaC21H28F2N4O2
  • Average mass406.469 Da
  • Monoisotopic mass406.218048 Da
  • ChemSpider ID53597564

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

3-{[(2S)-1-{1-[(3,5-Dimethyl-1,2-oxazol-4-yl)methyl]-4-piperidinyl}-4,4-difluor-2-pyrrolidinyl]methoxy}pyridin [German] [ACD/IUPAC Name]
3-{[(2S)-1-{1-[(3,5-Dimethyl-1,2-oxazol-4-yl)methyl]-4-piperidinyl}-4,4-difluoro-2-pyrrolidinyl]methoxy}pyridine [ACD/IUPAC Name]
3-{[(2S)-1-{1-[(3,5-Diméthyl-1,2-oxazol-4-yl)méthyl]-4-pipéridinyl}-4,4-difluoro-2-pyrrolidinyl]méthoxy}pyridine [French] [ACD/IUPAC Name]
Pyridine, 3-[[(2S)-1-[1-[(3,5-dimethyl-4-isoxazolyl)methyl]-4-piperidinyl]-4,4-difluoro-2-pyrrolidinyl]methoxy]- [ACD/Index Name]
{(2S)-1-[1-[(3,5-DIMETHYL-4-ISOXAZOLYL)METHYL]TETRAHYDRO-4(2H)-PYRIDINYL]-4,4-DIFLUOROTETRAHYDRO-1H-PYRROL-2-YL}METHYL (3-PYRIDYL) ETHER
4-[[4-[(2S)-4,4-difluoro-2-(pyridin-3-yloxymethyl)pyrrolidin-1-yl]piperidin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole

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

Density: 1.3±0.1 g/cm3
Boiling Point: 515.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.7±3.0 kJ/mol
Flash Point: 265.6±30.1 °C
Index of Refraction: 1.567
Molar Refractivity: 105.4±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.17
ACD/LogD (pH 5.5): -0.27
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.61
ACD/LogD (pH 7.4): 1.48
ACD/BCF (pH 7.4): 5.91
ACD/KOC (pH 7.4): 89.14
Polar Surface Area: 55 Å2
Polarizability: 41.8±0.5 10-24cm3
Surface Tension: 52.1±5.0 dyne/cm
Molar Volume: 322.3±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement