(1R,5R)-3-(1,2-oxazole-3-carbonyl)-6-propyl-3,6-diazabicyclo[3.2.2]nonane

• ChemBase ID: 573280
• Molecular Formular: C14H21N3O2
• Molecular Mass: 263.33544
• Monoisotopic Mass: 263.16337693
• SMILES: N1(C(=O)c2nocc2)C[C@@H]2N(C[C@H](C1)CC2)CCC
• Canonical SMILES: CCCN1C[C@H]2CC[C@@H]1CN(C2)C(=O)c1ccon1
• InChI: InChI=1S/C14H21N3O2/c1-2-6-16-8-11-3-4-12(16)10-17(9-11)14(18)13-5-7-19-15-13/h5,7,11-12H,2-4,6,8-10H2,1H3/t11-,12-/m1/s1
• InChIKey: VMFGTPLNXBANSY-VXGBXAGGSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1R,5R)-3-(1,2-oxazole-3-carbonyl)-6-propyl-3,6-diazabicyclo[3.2.2]nonane
• IUPAC Traditional name: (1R,5R)-3-(1,2-oxazole-3-carbonyl)-6-propyl-3,6-diazabicyclo[3.2.2]nonane
• Synonyms: (1R*,5R*)-3-(3-isoxazolylcarbonyl)-6-propyl-3,6-diazabicyclo[3.2.2]nonane

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -1.6252927
• LogD (pH = 7.4): 0.109023646
• Log P: 1.3181701
• Molar Refractivity: 73.1439 cm^3
• Polarizability: 27.6606 Å^3
• Polar Surface Area: 49.58 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 0.07
• LOG S: -2.49
• Polar Surface Area: 49.58 Å^2
• Rotatable Bonds: 3