2-(3-methoxypropyl)-9-[(2-methyl-1,3-oxazol-4-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one

• ChemBase ID: 389434
• Molecular Formular: C18H29N3O3
• Molecular Mass: 335.44116
• Monoisotopic Mass: 335.2208918
• SMILES: n1c(coc1C)CN1CCC2(CN(C(=O)CC2)CCCOC)CC1
• Canonical SMILES: COCCCN1CC2(CCN(CC2)Cc2coc(n2)C)CCC1=O
• InChI: InChI=1S/C18H29N3O3/c1-15-19-16(13-24-15)12-20-9-6-18(7-10-20)5-4-17(22)21(14-18)8-3-11-23-2/h13H,3-12,14H2,1-2H3
• InChIKey: IVCPOBPHJPACOE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3-methoxypropyl)-9-[(2-methyl-1,3-oxazol-4-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
• IUPAC Traditional name: 2-(3-methoxypropyl)-9-[(2-methyl-1,3-oxazol-4-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
• Synonyms: 2-(3-methoxypropyl)-9-[(2-methyl-1,3-oxazol-4-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -1.93957
• LogD (pH = 7.4): -0.34410152
• Log P: -0.041401837
• Molar Refractivity: 92.2996 cm^3
• Polarizability: 35.840023 Å^3
• Polar Surface Area: 58.81 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 0.13
• LOG S: -3.07
• Polar Surface Area: 58.81 Å^2
• Rotatable Bonds: 6