8-(5-ethyl-1,3-oxazole-4-carbonyl)-2-(3-methoxypropyl)-2,8-diazaspiro[4.5]decan-3-one

• ChemBase ID: 843252
• Molecular Formular: C18H27N3O4
• Molecular Mass: 349.42468
• Monoisotopic Mass: 349.20015636
• SMILES: c1(C(=O)N2CCC3(CN(C(=O)C3)CCCOC)CC2)ncoc1CC
• Canonical SMILES: COCCCN1CC2(CC1=O)CCN(CC2)C(=O)c1ncoc1CC
• InChI: InChI=1S/C18H27N3O4/c1-3-14-16(19-13-25-14)17(23)20-8-5-18(6-9-20)11-15(22)21(12-18)7-4-10-24-2/h13H,3-12H2,1-2H3
• InChIKey: RGAPRJNKXQDLAG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-(5-ethyl-1,3-oxazole-4-carbonyl)-2-(3-methoxypropyl)-2,8-diazaspiro[4.5]decan-3-one
• IUPAC Traditional name: 8-(5-ethyl-1,3-oxazole-4-carbonyl)-2-(3-methoxypropyl)-2,8-diazaspiro[4.5]decan-3-one
• Synonyms: 8-[(5-ethyl-1,3-oxazol-4-yl)carbonyl]-2-(3-methoxypropyl)-2,8-diazaspiro[4.5]decan-3-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.22597785
• LogD (pH = 7.4): -0.22597742
• Log P: -0.22597742
• Molar Refractivity: 93.4109 cm^3
• Polarizability: 35.37707 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: -0.47
• LOG S: -2.66
• Polar Surface Area: 75.88 Å^2
• Rotatable Bonds: 6