7-{[2-(propan-2-yl)-1,3-oxazol-4-yl]methyl}-2,7-diazaspiro[4.5]decane

• ChemBase ID: 700917
• Molecular Formular: C15H25N3O
• Molecular Mass: 263.3785
• Monoisotopic Mass: 263.19976244
• SMILES: n1c(occ1CN1CC2(CNCC2)CCC1)C(C)C
• Canonical SMILES: CC(c1occ(n1)CN1CCCC2(C1)CNCC2)C
• InChI: InChI=1S/C15H25N3O/c1-12(2)14-17-13(9-19-14)8-18-7-3-4-15(11-18)5-6-16-10-15/h9,12,16H,3-8,10-11H2,1-2H3
• InChIKey: GPYZNYUMYXNZGI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-{[2-(propan-2-yl)-1,3-oxazol-4-yl]methyl}-2,7-diazaspiro[4.5]decane
• IUPAC Traditional name: 7-[(2-isopropyl-1,3-oxazol-4-yl)methyl]-2,7-diazaspiro[4.5]decane
• Synonyms: 7-[(2-isopropyl-1,3-oxazol-4-yl)methyl]-2,7-diazaspiro[4.5]decane

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.405004
• LogD (pH = 7.4): -1.6908681
• Log P: 1.4693271
• Molar Refractivity: 75.9169 cm^3
• Polarizability: 29.918577 Å^3
• Polar Surface Area: 41.3 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.94
• LOG S: -0.92
• Polar Surface Area: 41.3 Å^2
• Rotatable Bonds: 3