N-{[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl}-N-methyl-3-azaspiro[5.5]undecan-9-amine

• ChemBase ID: 861936
• Molecular Formular: C17H30N4O2
• Molecular Mass: 322.4457
• Monoisotopic Mass: 322.23687622
• SMILES: n1c(onc1CCOC)CN(C1CCC2(CC1)CCNCC2)C
• Canonical SMILES: COCCc1noc(n1)CN(C1CCC2(CC1)CCNCC2)C
• InChI: InChI=1S/C17H30N4O2/c1-21(13-16-19-15(20-23-16)5-12-22-2)14-3-6-17(7-4-14)8-10-18-11-9-17/h14,18H,3-13H2,1-2H3
• InChIKey: OGMSXGDVJZHVGM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl}-N-methyl-3-azaspiro[5.5]undecan-9-amine
• IUPAC Traditional name: N-{[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl}-N-methyl-3-azaspiro[5.5]undecan-9-amine
• Synonyms: N-{[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl}-N-methyl-3-azaspiro[5.5]undecan-9-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -3.9854057
• LogD (pH = 7.4): -1.7139512
• Log P: 1.5614276
• Molar Refractivity: 91.5891 cm^3
• Polarizability: 35.273045 Å^3
• Polar Surface Area: 63.42 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 1.45
• LOG S: -1.78
• Polar Surface Area: 63.42 Å^2
• Rotatable Bonds: 6