{[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}(methyl)(1,3-thiazol-2-ylmethyl)amine

• ChemBase ID: 597216
• Molecular Formular: C18H21N3O2S
• Molecular Mass: 343.44324
• Monoisotopic Mass: 343.13544793
• SMILES: n1c(c(oc1c1ccc(cc1)OCC)C)CN(Cc1nccs1)C
• Canonical SMILES: CCOc1ccc(cc1)c1nc(c(o1)C)CN(Cc1nccs1)C
• InChI: InChI=1S/C18H21N3O2S/c1-4-22-15-7-5-14(6-8-15)18-20-16(13(2)23-18)11-21(3)12-17-19-9-10-24-17/h5-10H,4,11-12H2,1-3H3
• InChIKey: GMWMETWNNBDCHM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}(methyl)(1,3-thiazol-2-ylmethyl)amine
• IUPAC Traditional name: {[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}(methyl)(1,3-thiazol-2-ylmethyl)amine
• Synonyms: 1-[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]-N-methyl-N-(1,3-thiazol-2-ylmethyl)methanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.4259958
• LogD (pH = 7.4): 2.8099627
• Log P: 2.8179064
• Molar Refractivity: 105.399 cm^3
• Polarizability: 37.12045 Å^3
• Polar Surface Area: 51.39 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: 2.86
• LOG S: -3.13
• Polar Surface Area: 51.39 Å^2
• Rotatable Bonds: 5