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

• ChemBase ID: 862673
• Molecular Formular: C17H19N5O3
• Molecular Mass: 341.36446
• Monoisotopic Mass: 341.14878949
• SMILES: n1c(noc1CCc1nc(no1)CN1CCOCC1)c1ccccc1
• Canonical SMILES: O1CCN(CC1)Cc1noc(n1)CCc1onc(n1)c1ccccc1
• InChI: InChI=1S/C17H19N5O3/c1-2-4-13(5-3-1)17-19-16(25-21-17)7-6-15-18-14(20-24-15)12-22-8-10-23-11-9-22/h1-5H,6-12H2
• InChIKey: LAHGZRIZZUQHHF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 2.4373703
• LogD (pH = 7.4): 2.4551861
• Log P: 2.455418
• Molar Refractivity: 103.0182 cm^3
• Polarizability: 34.67979 Å^3
• Polar Surface Area: 90.31 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 8
• H Donor: 0
• Log P: 2.07
• LOG S: -2.45
• Polar Surface Area: 90.31 Å^2
• Rotatable Bonds: 6