ethyl[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]{[2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl}amine

• ChemBase ID: 460663
• Molecular Formular: C17H20N4OS
• Molecular Mass: 328.4319
• Monoisotopic Mass: 328.13578228
• SMILES: c1(ncc(s1)CN(Cc1nc(on1)C)CC)c1c(C)cccc1
• Canonical SMILES: CCN(Cc1cnc(s1)c1ccccc1C)Cc1noc(n1)C
• InChI: InChI=1S/C17H20N4OS/c1-4-21(11-16-19-13(3)22-20-16)10-14-9-18-17(23-14)15-8-6-5-7-12(15)2/h5-9H,4,10-11H2,1-3H3
• InChIKey: SAKRUVLQJXZHPG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]{[2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl}amine
• IUPAC Traditional name: ethyl[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]{[2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl}amine
• Synonyms: N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-{[2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl}ethanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.4587898
• LogD (pH = 7.4): 3.7823772
• Log P: 3.7885501
• Molar Refractivity: 103.6647 cm^3
• Polarizability: 35.496685 Å^3
• Polar Surface Area: 55.05 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 2.77
• LOG S: -2.95
• Polar Surface Area: 55.05 Å^2
• Rotatable Bonds: 6