8-(1,3-benzoxazol-2-yl)-1-[(3-methyl-1,2-oxazol-5-yl)methyl]-1,8-diazaspiro[4.5]decane

• ChemBase ID: 626328
• Molecular Formular: C20H24N4O2
• Molecular Mass: 352.43016
• Monoisotopic Mass: 352.18992603
• SMILES: c1(nc2c(o1)cccc2)N1CCC2(N(Cc3onc(c3)C)CCC2)CC1
• Canonical SMILES: Cc1noc(c1)CN1CCCC21CCN(CC2)c1nc2c(o1)cccc2
• InChI: InChI=1S/C20H24N4O2/c1-15-13-16(26-22-15)14-24-10-4-7-20(24)8-11-23(12-9-20)19-21-17-5-2-3-6-18(17)25-19/h2-3,5-6,13H,4,7-12,14H2,1H3
• InChIKey: JLLMTXWBUXFBIE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-(1,3-benzoxazol-2-yl)-1-[(3-methyl-1,2-oxazol-5-yl)methyl]-1,8-diazaspiro[4.5]decane
• IUPAC Traditional name: 8-(1,3-benzoxazol-2-yl)-1-[(3-methyl-1,2-oxazol-5-yl)methyl]-1,8-diazaspiro[4.5]decane
• Synonyms: 8-(1,3-benzoxazol-2-yl)-1-[(3-methyl-5-isoxazolyl)methyl]-1,8-diazaspiro[4.5]decane

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.24989302
• LogD (pH = 7.4): 1.5046477
• Log P: 2.6089213
• Molar Refractivity: 100.0303 cm^3
• Polarizability: 38.93531 Å^3
• Polar Surface Area: 58.54 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 2.9
• LOG S: -3.24
• Polar Surface Area: 58.54 Å^2
• Rotatable Bonds: 3