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

• ChemBase ID: 724668
• Molecular Formular: C14H19N3O3
• Molecular Mass: 277.31896
• Monoisotopic Mass: 277.14264148
• SMILES: c1(C(=O)N2CCC3(CN(C(=O)C3)CC)CC2)nocc1
• Canonical SMILES: CCN1CC2(CC1=O)CCN(CC2)C(=O)c1nocc1
• InChI: InChI=1S/C14H19N3O3/c1-2-16-10-14(9-12(16)18)4-6-17(7-5-14)13(19)11-3-8-20-15-11/h3,8H,2,4-7,9-10H2,1H3
• InChIKey: FTHKWIAYJDIENX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.18158364
• LogD (pH = 7.4): -0.1815834
• Log P: -0.1815834
• Molar Refractivity: 73.3095 cm^3
• Polarizability: 27.404953 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: -1.2
• LOG S: -1.51
• Polar Surface Area: 66.65 Å^2
• Rotatable Bonds: 2