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

• ChemBase ID: 340968
• Molecular Formular: C19H23N3O2S
• Molecular Mass: 357.46982
• Monoisotopic Mass: 357.15109799
• SMILES: n1c(c(oc1c1cc(c(cc1)OC)C)C)CN(C(c1nccs1)C)C
• Canonical SMILES: COc1ccc(cc1C)c1nc(c(o1)C)CN(C(c1nccs1)C)C
• InChI: InChI=1S/C19H23N3O2S/c1-12-10-15(6-7-17(12)23-5)18-21-16(14(3)24-18)11-22(4)13(2)19-20-8-9-25-19/h6-10,13H,11H2,1-5H3
• InChIKey: CFEMDCRTPRZVSA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.988211
• LogD (pH = 7.4): 3.5293388
• Log P: 3.5432842
• Molar Refractivity: 110.1855 cm^3
• Polarizability: 38.885113 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: 3.14
• LOG S: -3.13
• Polar Surface Area: 51.39 Å^2
• Rotatable Bonds: 5