[(dimethyl-1,2-oxazol-4-yl)methyl]({[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl})methylamine

• ChemBase ID: 314630
• Molecular Formular: C18H21N3O2S
• Molecular Mass: 343.44324
• Monoisotopic Mass: 343.13544793
• SMILES: c1(c(onc1C)C)CN(Cc1sc(nc1)c1cc(OC)ccc1)C
• Canonical SMILES: COc1cccc(c1)c1ncc(s1)CN(Cc1c(C)noc1C)C
• InChI: InChI=1S/C18H21N3O2S/c1-12-17(13(2)23-20-12)11-21(3)10-16-9-19-18(24-16)14-6-5-7-15(8-14)22-4/h5-9H,10-11H2,1-4H3
• InChIKey: LLSVRTYCARIPPZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(dimethyl-1,2-oxazol-4-yl)methyl]({[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl})methylamine
• IUPAC Traditional name: [(dimethyl-1,2-oxazol-4-yl)methyl]({[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl})methylamine
• Synonyms: 1-(3,5-dimethylisoxazol-4-yl)-N-{[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl}-N-methylmethanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.2282194
• LogD (pH = 7.4): 2.7541835
• Log P: 2.9929237
• Molar Refractivity: 106.9538 cm^3
• Polarizability: 37.045883 Å^3
• Polar Surface Area: 51.39 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: 3.82
• LOG S: -3.96
• Polar Surface Area: 51.39 Å^2
• Rotatable Bonds: 6