5-methoxy-9-(5-propyl-1,3,4-oxadiazol-2-yl)-1-oxa-9-azaspiro[5.5]undecane

• ChemBase ID: 725068
• Molecular Formular: C15H25N3O3
• Molecular Mass: 295.3773
• Monoisotopic Mass: 295.18959168
• SMILES: c1(oc(nn1)CCC)N1CCC2(CC1)OCCCC2OC
• Canonical SMILES: CCCc1nnc(o1)N1CCC2(CC1)OCCCC2OC
• InChI: InChI=1S/C15H25N3O3/c1-3-5-13-16-17-14(21-13)18-9-7-15(8-10-18)12(19-2)6-4-11-20-15/h12H,3-11H2,1-2H3
• InChIKey: GERKIVZSQAKQFW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-methoxy-9-(5-propyl-1,3,4-oxadiazol-2-yl)-1-oxa-9-azaspiro[5.5]undecane
• IUPAC Traditional name: 5-methoxy-9-(5-propyl-1,3,4-oxadiazol-2-yl)-1-oxa-9-azaspiro[5.5]undecane
• Synonyms: 5-methoxy-9-(5-propyl-1,3,4-oxadiazol-2-yl)-1-oxa-9-azaspiro[5.5]undecane

CALCULATED PROPERTIES

供应商提供(Chembridge)

• Polar Surface Area: 60.62 Å^2
• Rotatable Bonds: 4
• H Acceptors: 5
• H Donor: 0
• Log P: 1.25
• LOG S: -2.42

JChem

• Rotatable Bonds: 4
• Lipinski's Rule of Five: true
• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.3186921
• LogD (pH = 7.4): 1.3186924
• Log P: 1.3186924
• Molar Refractivity: 81.1739 cm^3
• Polarizability: 30.41576 Å^3
• Polar Surface Area: 60.62 Å^2