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

• ChemBase ID: 832734
• Molecular Formular: C15H21N5O3
• Molecular Mass: 319.35894
• Monoisotopic Mass: 319.16443956
• SMILES: c1(oc(nn1)C1CCC1)N1CC(Cc2nc(on2)CC)OCC1
• Canonical SMILES: CCc1onc(n1)CC1OCCN(C1)c1nnc(o1)C1CCC1
• InChI: InChI=1S/C15H21N5O3/c1-2-13-16-12(19-23-13)8-11-9-20(6-7-21-11)15-18-17-14(22-15)10-4-3-5-10/h10-11H,2-9H2,1H3
• InChIKey: YPMAEIKZBAIAOM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 1.9578545
• LogD (pH = 7.4): 1.957855
• Log P: 1.957855
• Molar Refractivity: 84.5775 cm^3
• Polarizability: 30.679283 Å^3
• Polar Surface Area: 90.31 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 0
• Log P: -0.01
• LOG S: -3.3
• Polar Surface Area: 90.31 Å^2
• Rotatable Bonds: 5