ChemSpider 2D Image | tert-Butyl 4-[4-chloro-2-(4,4-dimethyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]-4-hydroxypiperidine-1-carboxylate | C21H29ClN2O4

tert-Butyl 4-[4-chloro-2-(4,4-dimethyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]-4-hydroxypiperidine-1-carboxylate

  • Molecular FormulaC21H29ClN2O4
  • Average mass408.919 Da
  • Monoisotopic mass408.181580 Da
  • ChemSpider ID24598782

More details:

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

1-Piperidinecarboxylic acid, 4-[4-chloro-2-(4,5-dihydro-4,4-dimethyl-2-oxazolyl)phenyl]-4-hydroxy-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 4-[4-chloro-2-(4,4-dimethyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]-4-hydroxy-1-piperidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-4-[4-chlor-2-(4,4-dimethyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]-4-hydroxy-1-piperidincarboxylat [German] [ACD/IUPAC Name]
4-[4-Chloro-2-(4,4-diméthyl-4,5-dihydro-1,3-oxazol-2-yl)phényl]-4-hydroxy-1-pipéridinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
tert-Butyl 4-[4-chloro-2-(4,4-dimethyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]-4-hydroxypiperidine-1-carboxylate
1-Boc-4-(4-chloro-2-(4,4-dimethyl-4,5-dihydrooxazol-2-yl)phenyl)-4-hydroxypiperidine
849106-19-0 [RN]
MFCD14706167
tert-butyl 4-(4-chloro-2-(4,4-dimethyl-4,5-dihydrooxazol-2-yl)phenyl)-4-hydroxypiperidine-1-carboxylate
TERT-BUTYL 4-[4-CHLORO-2-(4,4-DIMETHYL-5H-1,3-OXAZOL-2-YL)PHENYL]-4-HYDROXYPIPERIDINE-1-CARBOXYLATE
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 534.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 85.3±3.0 kJ/mol
Flash Point: 276.9±30.1 °C
Index of Refraction: 1.573
Molar Refractivity: 108.4±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.66
ACD/LogD (pH 5.5): 3.79
ACD/BCF (pH 5.5): 440.64
ACD/KOC (pH 5.5): 2691.88
ACD/LogD (pH 7.4): 3.80
ACD/BCF (pH 7.4): 455.65
ACD/KOC (pH 7.4): 2783.53
Polar Surface Area: 71 Å2
Polarizability: 43.0±0.5 10-24cm3
Surface Tension: 42.5±7.0 dyne/cm
Molar Volume: 329.1±7.0 cm3

Click to predict properties on the Chemicalize site


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