(1R,5R)-N,N-dimethyl-6-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide

• ChemBase ID: 500660
• Molecular Formular: C19H25N5O2
• Molecular Mass: 355.4341
• Monoisotopic Mass: 355.20082507
• SMILES: N1(C(=O)N(C)C)C[C@@H]2N(Cc3oc(nn3)c3ccccc3)C[C@H](C1)CC2
• Canonical SMILES: O=C(N1C[C@@H]2CC[C@H](C1)N(C2)Cc1nnc(o1)c1ccccc1)N(C)C
• InChI: InChI=1S/C19H25N5O2/c1-22(2)19(25)24-11-14-8-9-16(12-24)23(10-14)13-17-20-21-18(26-17)15-6-4-3-5-7-15/h3-7,14,16H,8-13H2,1-2H3/t14-,16-/m1/s1
• InChIKey: PSLVCSBFBORSCF-GDBMZVCRSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1R,5R)-N,N-dimethyl-6-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide
• IUPAC Traditional name: (1R,5R)-N,N-dimethyl-6-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide
• Synonyms: (1R*,5R*)-N,N-dimethyl-6-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.66989994
• LogD (pH = 7.4): 0.6305339
• Log P: 0.75192565
• Molar Refractivity: 110.5677 cm^3
• Polarizability: 38.389256 Å^3
• Polar Surface Area: 65.71 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.54
• LOG S: -3.11
• Polar Surface Area: 65.71 Å^2
• Rotatable Bonds: 3