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

• ChemBase ID: 477995
• Molecular Formular: C15H21N3O3
• Molecular Mass: 291.34554
• Monoisotopic Mass: 291.15829155
• SMILES: c1(C(=O)N2CCC3(CN(C(=O)C3)CC)CC2)ncoc1C
• Canonical SMILES: CCN1CC2(CC1=O)CCN(CC2)C(=O)c1ncoc1C
• InChI: InChI=1S/C15H21N3O3/c1-3-17-9-15(8-12(17)19)4-6-18(7-5-15)14(20)13-11(2)21-10-16-13/h10H,3-9H2,1-2H3
• InChIKey: HPUUIDHPDNCANL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.40467635
• LogD (pH = 7.4): -0.4046761
• Log P: -0.40467608
• Molar Refractivity: 77.7266 cm^3
• Polarizability: 29.156183 Å^3
• Polar Surface Area: 66.65 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: -0.7
• LOG S: -2.04
• Polar Surface Area: 66.65 Å^2
• Rotatable Bonds: 2