(1R,3S)-7-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-3-ethoxy-7-azaspiro[3.5]nonan-1-ol

• ChemBase ID: 524199
• Molecular Formular: C16H25N3O3
• Molecular Mass: 307.388
• Monoisotopic Mass: 307.18959168
• SMILES: c1(nnc(o1)CN1CCC2([C@@H](C[C@@H]2OCC)O)CC1)C1CC1
• Canonical SMILES: CCO[C@H]1C[C@H](C21CCN(CC2)Cc1nnc(o1)C1CC1)O
• InChI: InChI=1S/C16H25N3O3/c1-2-21-13-9-12(20)16(13)5-7-19(8-6-16)10-14-17-18-15(22-14)11-3-4-11/h11-13,20H,2-10H2,1H3/t12-,13+/m1/s1
• InChIKey: GRRGKWCPOMQPFG-OLZOCXBDSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1R,3S)-7-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-3-ethoxy-7-azaspiro[3.5]nonan-1-ol
• IUPAC Traditional name: (1R,3S)-7-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-3-ethoxy-7-azaspiro[3.5]nonan-1-ol
• Synonyms: (1R*,3S*)-7-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-3-ethoxy-7-azaspiro[3.5]nonan-1-ol

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.681801
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -1.6630943
• LogD (pH = 7.4): -0.36476803
• Log P: -0.24409686
• Molar Refractivity: 83.1449 cm^3
• Polarizability: 31.833298 Å^3
• Polar Surface Area: 71.62 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 0.1
• LOG S: -0.52
• Polar Surface Area: 71.62 Å^2
• Rotatable Bonds: 5