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

• ChemBase ID: 820896
• Molecular Formular: C20H28N4O3
• Molecular Mass: 372.46132
• Monoisotopic Mass: 372.21614078
• SMILES: n1c(noc1)C1CCN(Cc2ccc(cc2)OCCN2CCOCC2)CC1
• Canonical SMILES: O1CCN(CC1)CCOc1ccc(cc1)CN1CCC(CC1)c1nocn1
• InChI: InChI=1S/C20H28N4O3/c1-3-19(26-14-11-23-9-12-25-13-10-23)4-2-17(1)15-24-7-5-18(6-8-24)20-21-16-27-22-20/h1-4,16,18H,5-15H2
• InChIKey: BTHWKPQNELMHBL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): -1.7744776
• LogD (pH = 7.4): 1.121924
• Log P: 1.9379915
• Molar Refractivity: 105.1942 cm^3
• Polarizability: 40.019947 Å^3
• Polar Surface Area: 63.86 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 0
• Log P: 0.81
• LOG S: -1.6
• Polar Surface Area: 63.86 Å^2
• Rotatable Bonds: 7