Found 113 results

Search term: MF = 'C_{12}H_{15}N_{7}O_{3}'
ChemSpider 2D Image | 3-[(5aS,9aS)-6,7,9,9a-Tetrahydro-4H-pyrido[4,3-b][1,2,3]triazolo[1,5-d][1,4]oxazin-8(5aH)-ylmethyl]-1,2,4-oxadiazole-5-carboxamide | C12H15N7O3

3-[(5aS,9aS)-6,7,9,9a-Tetrahydro-4H-pyrido[4,3-b][1,2,3]triazolo[1,5-d][1,4]oxazin-8(5aH)-ylmethyl]-1,2,4-oxadiazole-5-carboxamide

  • Molecular FormulaC12H15N7O3
  • Average mass305.293 Da
  • Monoisotopic mass305.123627 Da
  • ChemSpider ID52613626

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1,2,4-Oxadiazole-5-carboxamide, 3-[[(5aS,9aS)-6,7,9,9a-tetrahydro-4H-pyrido[4,3-b][1,2,3]triazolo[1,5-d][1,4]oxazin-8(5aH)-yl]methyl]- [ACD/Index Name]
3-[(5aS,9aS)-6,7,9,9a-Tetrahydro-4H-pyrido[4,3-b][1,2,3]triazolo[1,5-d][1,4]oxazin-8(5aH)-ylmethyl]-1,2,4-oxadiazol-5-carboxamid [German] [ACD/IUPAC Name]
3-[(5aS,9aS)-6,7,9,9a-Tetrahydro-4H-pyrido[4,3-b][1,2,3]triazolo[1,5-d][1,4]oxazin-8(5aH)-ylmethyl]-1,2,4-oxadiazole-5-carboxamide [ACD/IUPAC Name]
3-[(5aS,9aS)-6,7,9,9a-Tétrahydro-4H-pyrido[4,3-b][1,2,3]triazolo[1,5-d][1,4]oxazin-8(5aH)-ylméthyl]-1,2,4-oxadiazole-5-carboxamide [French] [ACD/IUPAC Name]
3-[trans-6,7,9,9a-tetrahydro-4H-pyrido[4,3-b][1,2,3]triazolo[1,5-d][1,4]oxazin-8(5aH)-ylmethyl]-1,2,4-oxadiazole-5-carboxamide

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

Density: 1.9±0.1 g/cm3
Boiling Point: 588.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.8±3.0 kJ/mol
Flash Point: 309.5±32.9 °C
Index of Refraction: 1.887
Molar Refractivity: 73.3±0.5 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 0.53
ACD/LogD (pH 5.5): -0.09
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 19.43
ACD/LogD (pH 7.4): -0.01
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 23.48
Polar Surface Area: 125 Å2
Polarizability: 29.1±0.5 10-24cm3
Surface Tension: 94.8±7.0 dyne/cm
Molar Volume: 159.3±7.0 cm3

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