ethyl[(5-propyl-1,2,4-oxadiazol-3-yl)methyl](quinoxalin-2-ylmethyl)amine

• ChemBase ID: 577405
• Molecular Formular: C17H21N5O
• Molecular Mass: 311.38154
• Monoisotopic Mass: 311.17461032
• SMILES: n1c(noc1CCC)CN(Cc1nc2c(nc1)cccc2)CC
• Canonical SMILES: CCCc1onc(n1)CN(Cc1cnc2c(n1)cccc2)CC
• InChI: InChI=1S/C17H21N5O/c1-3-7-17-20-16(21-23-17)12-22(4-2)11-13-10-18-14-8-5-6-9-15(14)19-13/h5-6,8-10H,3-4,7,11-12H2,1-2H3
• InChIKey: VSKUQVDPANFGCT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl[(5-propyl-1,2,4-oxadiazol-3-yl)methyl](quinoxalin-2-ylmethyl)amine
• IUPAC Traditional name: ethyl[(5-propyl-1,2,4-oxadiazol-3-yl)methyl](quinoxalin-2-ylmethyl)amine
• Synonyms: N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]-N-(quinoxalin-2-ylmethyl)ethanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 2.9655585
• LogD (pH = 7.4): 3.0148437
• Log P: 3.0155096
• Molar Refractivity: 88.6275 cm^3
• Polarizability: 35.092922 Å^3
• Polar Surface Area: 67.94 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 2.09
• LOG S: -2.25
• Polar Surface Area: 67.94 Å^2
• Rotatable Bonds: 7