2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-yl]-2,8-diazaspiro[4.5]decane

• ChemBase ID: 834294
• Molecular Formular: C16H21N5O
• Molecular Mass: 299.37084
• Monoisotopic Mass: 299.17461032
• SMILES: n1c(onc1C)c1cc(N2CC3(CC2)CCNCC3)ncc1
• Canonical SMILES: Cc1noc(n1)c1ccnc(c1)N1CCC2(C1)CCNCC2
• InChI: InChI=1S/C16H21N5O/c1-12-19-15(22-20-12)13-2-6-18-14(10-13)21-9-5-16(11-21)3-7-17-8-4-16/h2,6,10,17H,3-5,7-9,11H2,1H3
• InChIKey: MIQDDZNKKCXFOU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-yl]-2,8-diazaspiro[4.5]decane
• IUPAC Traditional name: 2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-yl]-2,8-diazaspiro[4.5]decane
• Synonyms: 2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-yl]-2,8-diazaspiro[4.5]decane

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -1.3871839
• LogD (pH = 7.4): -0.8199171
• Log P: 1.9727169
• Molar Refractivity: 96.6262 cm^3
• Polarizability: 32.52531 Å^3
• Polar Surface Area: 67.08 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 1.41
• LOG S: -1.58
• Polar Surface Area: 67.08 Å^2
• Rotatable Bonds: 2