2-(3-methoxypropyl)-8-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-2,8-diazaspiro[5.5]undecan-3-one

• ChemBase ID: 471725
• Molecular Formular: C19H29N3O4
• Molecular Mass: 363.45126
• Monoisotopic Mass: 363.21580642
• SMILES: C(=O)(N1CC2(CN(C(=O)CC2)CCCOC)CCC1)Cc1onc(c1)C
• Canonical SMILES: COCCCN1CC2(CCCN(C2)C(=O)Cc2onc(c2)C)CCC1=O
• InChI: InChI=1S/C19H29N3O4/c1-15-11-16(26-20-15)12-18(24)22-8-3-6-19(14-22)7-5-17(23)21(13-19)9-4-10-25-2/h11H,3-10,12-14H2,1-2H3
• InChIKey: WGBXLIVYWGIFPQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.27924976
• LogD (pH = 7.4): -0.27924472
• Log P: -0.27924466
• Molar Refractivity: 97.8092 cm^3
• Polarizability: 37.405434 Å^3
• Polar Surface Area: 75.88 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: 0.32
• LOG S: -3.43
• Polar Surface Area: 75.88 Å^2
• Rotatable Bonds: 6