7-(1,3-benzoxazol-2-yl)-2-oxa-7-azaspiro[4.5]decane

• ChemBase ID: 570567
• Molecular Formular: C15H18N2O2
• Molecular Mass: 258.31562
• Monoisotopic Mass: 258.13682783
• SMILES: c1(nc2c(o1)cccc2)N1CC2(COCC2)CCC1
• Canonical SMILES: c1ccc2c(c1)oc(n2)N1CCCC2(C1)COCC2
• InChI: InChI=1S/C15H18N2O2/c1-2-5-13-12(4-1)16-14(19-13)17-8-3-6-15(10-17)7-9-18-11-15/h1-2,4-5H,3,6-11H2
• InChIKey: SGYFKRLPVPTQHM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-(1,3-benzoxazol-2-yl)-2-oxa-7-azaspiro[4.5]decane
• IUPAC Traditional name: 7-(1,3-benzoxazol-2-yl)-2-oxa-7-azaspiro[4.5]decane
• Synonyms: 7-(1,3-benzoxazol-2-yl)-2-oxa-7-azaspiro[4.5]decane

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.5943182
• LogD (pH = 7.4): 2.5943215
• Log P: 2.5943215
• Molar Refractivity: 72.431 cm^3
• Polarizability: 28.924305 Å^3
• Polar Surface Area: 38.5 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.59
• LOG S: -4.39
• Polar Surface Area: 38.5 Å^2
• Rotatable Bonds: 1