4-(2-{1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-2-yl}ethyl)morpholine

• ChemBase ID: 352014
• Molecular Formular: C20H28N4O2
• Molecular Mass: 356.46192
• Monoisotopic Mass: 356.22122616
• SMILES: n1c(noc1CN1C(CCN2CCOCC2)CCCC1)c1ccccc1
• Canonical SMILES: O1CCN(CC1)CCC1CCCCN1Cc1onc(n1)c1ccccc1
• InChI: InChI=1S/C20H28N4O2/c1-2-6-17(7-3-1)20-21-19(26-22-20)16-24-10-5-4-8-18(24)9-11-23-12-14-25-15-13-23/h1-3,6-7,18H,4-5,8-16H2
• InChIKey: RWCSKAMIARBOJR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(2-{1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-2-yl}ethyl)morpholine
• IUPAC Traditional name: 4-(2-{1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-2-yl}ethyl)morpholine
• Synonyms: 4-(2-{1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-2-piperidinyl}ethyl)morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -0.23541449
• LogD (pH = 7.4): 1.9819375
• Log P: 2.8846972
• Molar Refractivity: 113.7261 cm^3
• Polarizability: 40.099712 Å^3
• Polar Surface Area: 54.63 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 3.03
• LOG S: -0.66
• Polar Surface Area: 54.63 Å^2
• Rotatable Bonds: 6