9-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-6-oxa-9-azaspiro[4.5]decane

• ChemBase ID: 713035
• Molecular Formular: C14H23N3O2
• Molecular Mass: 265.35132
• Monoisotopic Mass: 265.17902699
• SMILES: c1(oc(nn1)C(C)(C)C)N1CC2(OCC1)CCCC2
• Canonical SMILES: CC(c1nnc(o1)N1CCOC2(C1)CCCC2)(C)C
• InChI: InChI=1S/C14H23N3O2/c1-13(2,3)11-15-16-12(19-11)17-8-9-18-14(10-17)6-4-5-7-14/h4-10H2,1-3H3
• InChIKey: MZHONHSRIPHLGN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-6-oxa-9-azaspiro[4.5]decane
• IUPAC Traditional name: 9-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-6-oxa-9-azaspiro[4.5]decane
• Synonyms: 9-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-6-oxa-9-azaspiro[4.5]decane

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.7295504
• LogD (pH = 7.4): 2.7295506
• Log P: 2.7295506
• Molar Refractivity: 74.4059 cm^3
• Polarizability: 27.857018 Å^3
• Polar Surface Area: 51.39 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.52
• LOG S: -3.69
• Polar Surface Area: 51.39 Å^2
• Rotatable Bonds: 2