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Search term: XZORQADPEUSNQJ (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 2-(3-Piperidin-4-Yloxy-1-Benzothiophen-2-Yl)-5-[(1,3,5-Trimethylpyrazol-4-Yl)methyl]-1,3,4-Oxadiazole | C22H25N5O2S

2-(3-Piperidin-4-Yloxy-1-Benzothiophen-2-Yl)-5-[(1,3,5-Trimethylpyrazol-4-Yl)methyl]-1,3,4-Oxadiazole

  • Molecular FormulaC22H25N5O2S
  • Average mass423.531 Da
  • Monoisotopic mass423.172882 Da
  • ChemSpider ID29776441

More details:

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

2-(3-(Piperidin-4-yloxy)benzo[b]thiophen-2-yl)-5-((1,3,5-trimethyl-1H-pyrazol-4-yl)methyl)-1,3,4-oxadiazole
2-(3-Piperidin-4-Yloxy-1-Benzothiophen-2-Yl)-5-[(1,3,5-Trimethylpyrazol-4-Yl)methyl]-1,3,4-Oxadiazole
4-[(2-{5-[(1,3,5-Trimethyl-1H-pyrazol-4-yl)methyl]-1,3,4-oxadiazol-2-yl}-1-benzothiophen-3-yl)oxy]piperidin [German] [ACD/IUPAC Name]
4-[(2-{5-[(1,3,5-Trimethyl-1H-pyrazol-4-yl)methyl]-1,3,4-oxadiazol-2-yl}-1-benzothiophen-3-yl)oxy]piperidine [ACD/IUPAC Name]
4-[(2-{5-[(1,3,5-Triméthyl-1H-pyrazol-4-yl)méthyl]-1,3,4-oxadiazol-2-yl}-1-benzothiophén-3-yl)oxy]pipéridine [French] [ACD/IUPAC Name]
Piperidine, 4-[[2-[5-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]-1,3,4-oxadiazol-2-yl]benzo[b]thien-3-yl]oxy]- [ACD/Index Name]
Compound 34c [PMID 24641010]
YNE

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

Density: 1.4±0.1 g/cm3
Boiling Point: 648.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.6±3.0 kJ/mol
Flash Point: 345.9±34.3 °C
Index of Refraction: 1.716
Molar Refractivity: 117.4±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.01
ACD/LogD (pH 5.5): 0.11
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.10
ACD/LogD (pH 7.4): 1.01
ACD/BCF (pH 7.4): 1.05
ACD/KOC (pH 7.4): 8.76
Polar Surface Area: 106 Å2
Polarizability: 46.5±0.5 10-24cm3
Surface Tension: 53.8±7.0 dyne/cm
Molar Volume: 298.5±7.0 cm3

Click to predict properties on the Chemicalize site


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