(1R,5R)-N,N-dimethyl-6-(3-phenyl-1,2-oxazole-5-carbonyl)-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide

• ChemBase ID: 652320
• Molecular Formular: C20H24N4O3
• Molecular Mass: 368.42956
• Monoisotopic Mass: 368.18484065
• SMILES: c1(C(=O)N2[C@H]3CN(C(=O)N(C)C)C[C@@H](C2)CC3)cc(no1)c1ccccc1
• Canonical SMILES: O=C(N1C[C@@H]2CC[C@H](C1)N(C2)C(=O)c1onc(c1)c1ccccc1)N(C)C
• InChI: InChI=1S/C20H24N4O3/c1-22(2)20(26)23-11-14-8-9-16(13-23)24(12-14)19(25)18-10-17(21-27-18)15-6-4-3-5-7-15/h3-7,10,14,16H,8-9,11-13H2,1-2H3/t14-,16+/m0/s1
• InChIKey: QTYWPYMAJNWKIZ-GOEBONIOSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1R,5R)-N,N-dimethyl-6-(3-phenyl-1,2-oxazole-5-carbonyl)-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide
• IUPAC Traditional name: (1R,5R)-N,N-dimethyl-6-(3-phenyl-1,2-oxazole-5-carbonyl)-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide
• Synonyms: (1R*,5R*)-N,N-dimethyl-6-[(3-phenyl-5-isoxazolyl)carbonyl]-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.3467666
• LogD (pH = 7.4): 1.3467671
• Log P: 1.3467671
• Molar Refractivity: 101.6263 cm^3
• Polarizability: 39.413815 Å^3
• Polar Surface Area: 69.89 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 0.26
• LOG S: -3.42
• Polar Surface Area: 69.89 Å^2
• Rotatable Bonds: 2