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

• ChemBase ID: 836095
• Molecular Formular: C19H24N4OS
• Molecular Mass: 356.48506
• Monoisotopic Mass: 356.16708241
• SMILES: c1(ncc(s1)CN(Cc1nnc(o1)CC)C(C)C)c1c(C)cccc1
• Canonical SMILES: CCc1nnc(o1)CN(C(C)C)Cc1cnc(s1)c1ccccc1C
• InChI: InChI=1S/C19H24N4OS/c1-5-17-21-22-18(24-17)12-23(13(2)3)11-15-10-20-19(25-15)16-9-7-6-8-14(16)4/h6-10,13H,5,11-12H2,1-4H3
• InChIKey: PYRRCYBOURDSRP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.5174012
• LogD (pH = 7.4): 3.5604012
• Log P: 3.6201293
• Molar Refractivity: 112.8362 cm^3
• Polarizability: 39.178238 Å^3
• Polar Surface Area: 55.05 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 2.55
• LOG S: -2.97
• Polar Surface Area: 55.05 Å^2
• Rotatable Bonds: 7