2-(4-methyl-1,2,5-oxadiazole-3-carbonyl)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one

• ChemBase ID: 502917
• Molecular Formular: C17H24N4O4
• Molecular Mass: 348.39686
• Monoisotopic Mass: 348.17975527
• SMILES: c1(C(=O)N2CC3(C(=O)N(C4CCOCC4)CCC3)CC2)nonc1C
• Canonical SMILES: Cc1nonc1C(=O)N1CCC2(C1)CCCN(C2=O)C1CCOCC1
• InChI: InChI=1S/C17H24N4O4/c1-12-14(19-25-18-12)15(22)20-8-6-17(11-20)5-2-7-21(16(17)23)13-3-9-24-10-4-13/h13H,2-11H2,1H3
• InChIKey: MZQCNTDRHWXVIC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-methyl-1,2,5-oxadiazole-3-carbonyl)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one
• IUPAC Traditional name: 2-(4-methyl-1,2,5-oxadiazole-3-carbonyl)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one
• Synonyms: 2-[(4-methyl-1,2,5-oxadiazol-3-yl)carbonyl]-7-(tetrahydro-2H-pyran-4-yl)-2,7-diazaspiro[4.5]decan-6-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -0.7096028
• LogD (pH = 7.4): -0.70960087
• Log P: -0.70960087
• Molar Refractivity: 90.6083 cm^3
• Polarizability: 33.847637 Å^3
• Polar Surface Area: 88.77 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 0.3
• LOG S: -3.31
• Polar Surface Area: 88.77 Å^2
• Rotatable Bonds: 2