(2R,6S)-2,6-dimethyl-4-{[3-(pyrazin-2-yl)-1,2,4-oxadiazol-5-yl]methyl}morpholine

• ChemBase ID: 857310
• Molecular Formular: C13H17N5O2
• Molecular Mass: 275.30638
• Monoisotopic Mass: 275.13822481
• SMILES: c1(nc(on1)CN1C[C@@H](O[C@@H](C1)C)C)c1nccnc1
• Canonical SMILES: C[C@@H]1O[C@H](C)CN(C1)Cc1onc(n1)c1nccnc1
• InChI: InChI=1S/C13H17N5O2/c1-9-6-18(7-10(2)19-9)8-12-16-13(17-20-12)11-5-14-3-4-15-11/h3-5,9-10H,6-8H2,1-2H3/t9-,10+
• InChIKey: JSLNECWCURSEEM-AOOOYVTPSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R,6S)-2,6-dimethyl-4-{[3-(pyrazin-2-yl)-1,2,4-oxadiazol-5-yl]methyl}morpholine
• IUPAC Traditional name: (2R,6S)-2,6-dimethyl-4-{[3-(pyrazin-2-yl)-1,2,4-oxadiazol-5-yl]methyl}morpholine
• Synonyms: (2R*,6S*)-2,6-dimethyl-4-{[3-(2-pyrazinyl)-1,2,4-oxadiazol-5-yl]methyl}morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 0.19996259
• LogD (pH = 7.4): 0.68382865
• Log P: 0.6953191
• Molar Refractivity: 83.1812 cm^3
• Polarizability: 28.348734 Å^3
• Polar Surface Area: 77.17 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 0
• Log P: 0.21
• LOG S: -0.2
• Polar Surface Area: 77.17 Å^2
• Rotatable Bonds: 3