ChemSpider 2D Image | N-[(2S)-3-Cyclohexyl-1-{[(2S,3S)-1-(2,3-dihydro-1'H-spiro[indene-1,4'-piperidin]-1'-yl)-3-methyl-1-oxo-2-pentanyl]amino}-1-oxo-2-propanyl]-1,2-oxazole-5-carboxamide | C32H44N4O4

N-[(2S)-3-Cyclohexyl-1-{[(2S,3S)-1-(2,3-dihydro-1'H-spiro[indene-1,4'-piperidin]-1'-yl)-3-methyl-1-oxo-2-pentanyl]amino}-1-oxo-2-propanyl]-1,2-oxazole-5-carboxamide

  • Molecular FormulaC32H44N4O4
  • Average mass548.716 Da
  • Monoisotopic mass548.336243 Da
  • ChemSpider ID26363838

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

5-Isoxazolecarboxamide, N-[(1S)-1-(cyclohexylmethyl)-2-[[(1S,2S)-1-[(2,3-dihydrospiro[1H-indene-1,4'-piperidin]-1'-yl)carbonyl]-2-methylbutyl]amino]-2-oxoethyl]- [ACD/Index Name]
N-[(2S)-3-Cyclohexyl-1-{[(2S,3S)-1-(2,3-dihydro-1'H-spiro[indene-1,4'-piperidin]-1'-yl)-3-methyl-1-oxo-2-pentanyl]amino}-1-oxo-2-propanyl]-1,2-oxazol-5-carboxamid [German] [ACD/IUPAC Name]
N-[(2S)-3-Cyclohexyl-1-{[(2S,3S)-1-(2,3-dihydro-1'H-spiro[indene-1,4'-piperidin]-1'-yl)-3-methyl-1-oxo-2-pentanyl]amino}-1-oxo-2-propanyl]-1,2-oxazole-5-carboxamide [ACD/IUPAC Name]
N-[(2S)-3-Cyclohexyl-1-{[(2S,3S)-1-(2,3-dihydro-1'H-spiro[indene-1,4'-piperidin]-1'-yl)-3-méthyl-1-oxo-2-pentanyl]amino}-1-oxo-2-propanyl]-1,2-oxazole-5-carboxamide [French] [ACD/IUPAC Name]
1252806-86-2 [RN]
GB83
MFCD20926417
N-[(2S)-3-cyclohexyl-1-[[(2S,3S)-3-methyl-1-oxo-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpentan-2-yl]amino]-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide

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

Density: 1.2±0.1 g/cm3
Boiling Point: 807.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 117.4±3.0 kJ/mol
Flash Point: 442.2±34.3 °C
Index of Refraction: 1.588
Molar Refractivity: 153.6±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 5.97
ACD/LogD (pH 5.5): 5.16
ACD/BCF (pH 5.5): 4884.03
ACD/KOC (pH 5.5): 15206.17
ACD/LogD (pH 7.4): 5.16
ACD/BCF (pH 7.4): 4883.84
ACD/KOC (pH 7.4): 15205.58
Polar Surface Area: 105 Å2
Polarizability: 60.9±0.5 10-24cm3
Surface Tension: 55.5±5.0 dyne/cm
Molar Volume: 456.5±5.0 cm3

Click to predict properties on the Chemicalize site


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