5-cyclobutyl-N-[2-(morpholin-4-yl)-2-(pyridin-2-yl)ethyl]-1,3,4-oxadiazol-2-amine

• ChemBase ID: 474996
• Molecular Formular: C17H23N5O2
• Molecular Mass: 329.39682
• Monoisotopic Mass: 329.185175
• SMILES: o1c(nnc1NCC(N1CCOCC1)c1ncccc1)C1CCC1
• Canonical SMILES: O1CCN(CC1)C(c1ccccn1)CNc1nnc(o1)C1CCC1
• InChI: InChI=1S/C17H23N5O2/c1-2-7-18-14(6-1)15(22-8-10-23-11-9-22)12-19-17-21-20-16(24-17)13-4-3-5-13/h1-2,6-7,13,15H,3-5,8-12H2,(H,19,21)
• InChIKey: SYGTYEASHRAQHK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-cyclobutyl-N-[2-(morpholin-4-yl)-2-(pyridin-2-yl)ethyl]-1,3,4-oxadiazol-2-amine
• IUPAC Traditional name: 5-cyclobutyl-N-[2-(morpholin-4-yl)-2-(pyridin-2-yl)ethyl]-1,3,4-oxadiazol-2-amine
• Synonyms: 5-cyclobutyl-N-(2-morpholin-4-yl-2-pyridin-2-ylethyl)-1,3,4-oxadiazol-2-amine

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.979642
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 0.96294314
• LogD (pH = 7.4): 1.0580177
• Log P: 1.0595162
• Molar Refractivity: 91.864 cm^3
• Polarizability: 34.39114 Å^3
• Polar Surface Area: 76.31 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: 0.38
• LOG S: 0.05
• Polar Surface Area: 76.31 Å^2
• Rotatable Bonds: 6