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

• ChemBase ID: 571287
• Molecular Formular: C17H25N3O3
• Molecular Mass: 319.3987
• Monoisotopic Mass: 319.18959168
• SMILES: c1(noc(c1)CCC)C(=O)N1CCC2(CN(C(=O)C2)CC)CC1
• Canonical SMILES: CCCc1onc(c1)C(=O)N1CCC2(CC1)CN(C(=O)C2)CC
• InChI: InChI=1S/C17H25N3O3/c1-3-5-13-10-14(18-23-13)16(22)20-8-6-17(7-9-20)11-15(21)19(4-2)12-17/h10H,3-9,11-12H2,1-2H3
• InChIKey: PRDQCLLUIWCHLZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.98506874
• LogD (pH = 7.4): 0.985069
• Log P: 0.985069
• Molar Refractivity: 87.5842 cm^3
• Polarizability: 32.818962 Å^3
• Polar Surface Area: 66.65 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 0.33
• LOG S: -3.12
• Polar Surface Area: 66.65 Å^2
• Rotatable Bonds: 4