8-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-2-(3-methoxypropyl)-2,8-diazaspiro[5.5]undecan-3-one

• ChemBase ID: 560489
• Molecular Formular: C19H30N4O3
• Molecular Mass: 362.4665
• Monoisotopic Mass: 362.23179084
• SMILES: c1(nnc(o1)CN1CC2(CN(C(=O)CC2)CCCOC)CCC1)C1CC1
• Canonical SMILES: COCCCN1CC2(CCCN(C2)Cc2nnc(o2)C2CC2)CCC1=O
• InChI: InChI=1S/C19H30N4O3/c1-25-11-3-10-23-14-19(8-6-17(23)24)7-2-9-22(13-19)12-16-20-21-18(26-16)15-4-5-15/h15H,2-14H2,1H3
• InChIKey: PKIOMNDMYAFAKA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-2-(3-methoxypropyl)-2,8-diazaspiro[5.5]undecan-3-one
• IUPAC Traditional name: 8-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-2-(3-methoxypropyl)-2,8-diazaspiro[5.5]undecan-3-one
• Synonyms: 8-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-2-(3-methoxypropyl)-2,8-diazaspiro[5.5]undecan-3-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -1.5621362
• LogD (pH = 7.4): -0.21366744
• Log P: -0.074455254
• Molar Refractivity: 99.6102 cm^3
• Polarizability: 37.943295 Å^3
• Polar Surface Area: 71.7 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 0.55
• LOG S: -2.31
• Polar Surface Area: 71.7 Å^2
• Rotatable Bonds: 7