ChemSpider 2D Image | 1-(4-{[(2S)-2-methyl-6-nitro-2H,3H-imidazo[2,1-b][1,3]oxazol-2-yl]methoxy}phenyl)-4-[4-(trifluoromethoxy)phenoxy]piperidine | C25H25F3N4O6

1-(4-{[(2S)-2-methyl-6-nitro-2H,3H-imidazo[2,1-b][1,3]oxazol-2-yl]methoxy}phenyl)-4-[4-(trifluoromethoxy)phenoxy]piperidine

  • Molecular FormulaC25H25F3N4O6
  • Average mass534.484 Da
  • Monoisotopic mass534.172607 Da
  • ChemSpider ID4978557

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-Methyl-6-nitro-2-[(4-{4-[4-(trifluormethoxy)phenoxy]-1-piperidinyl}phenoxy)methyl]-2,3-dihydroimidazo[2,1-b][1,3]oxazol [German] [ACD/IUPAC Name]
(2S)-2-Methyl-6-nitro-2-[(4-{4-[4-(trifluoromethoxy)phenoxy]-1-piperidinyl}phenoxy)methyl]-2,3-dihydroimidazo[2,1-b][1,3]oxazole [ACD/IUPAC Name]
(2S)-2-Méthyl-6-nitro-2-[(4-{4-[4-(trifluorométhoxy)phénoxy]-1-pipéridinyl}phénoxy)méthyl]-2,3-dihydroimidazo[2,1-b][1,3]oxazole [French] [ACD/IUPAC Name]
1-(4-{[(2S)-2-methyl-6-nitro-2H,3H-imidazo[2,1-b][1,3]oxazol-2-yl]methoxy}phenyl)-4-[4-(trifluoromethoxy)phenoxy]piperidine
681505-01-1 [RN]
Imidazo[2,1-b]oxazole, 2,3-dihydro-2-methyl-6-nitro-2-[[4-[4-[4-(trifluoromethoxy)phenoxy]-1-piperidinyl]phenoxy]methyl]-, (2S)- [ACD/Index Name]
(S)-2-Methyl-6-nitro-2-((4-(4-(4-(trifluoromethoxy)phenoxy)piperidin-1-yl)phenoxy)methyl)-2,3-dihydroimidazo[2,1-b]oxazole
Chemistry 20662
Delamanid enantiomer
MFCD28502150

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

Density: 1.5±0.1 g/cm3
Boiling Point: 653.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.3±3.0 kJ/mol
Flash Point: 349.1±34.3 °C
Index of Refraction: 1.611
Molar Refractivity: 127.7±0.5 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 4.75
ACD/LogD (pH 5.5): 4.43
ACD/BCF (pH 5.5): 1353.11
ACD/KOC (pH 5.5): 6015.43
ACD/LogD (pH 7.4): 4.44
ACD/BCF (pH 7.4): 1394.19
ACD/KOC (pH 7.4): 6198.08
Polar Surface Area: 104 Å2
Polarizability: 50.6±0.5 10-24cm3
Surface Tension: 50.0±7.0 dyne/cm
Molar Volume: 368.0±7.0 cm3

Click to predict properties on the Chemicalize site


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