{[2-(4-fluoro-3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}(methyl)[1-(thiophen-2-yl)ethyl]amine

• ChemBase ID: 864738
• Molecular Formular: C19H21FN2O2S
• Molecular Mass: 360.4456432
• Monoisotopic Mass: 360.13077714
• SMILES: n1c(c(oc1c1cc(c(cc1)F)OC)C)CN(C(c1sccc1)C)C
• Canonical SMILES: COc1cc(ccc1F)c1nc(c(o1)C)CN(C(c1cccs1)C)C
• InChI: InChI=1S/C19H21FN2O2S/c1-12(18-6-5-9-25-18)22(3)11-16-13(2)24-19(21-16)14-7-8-15(20)17(10-14)23-4/h5-10,12H,11H2,1-4H3
• InChIKey: SLFHNCMGCKCDCL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {[2-(4-fluoro-3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}(methyl)[1-(thiophen-2-yl)ethyl]amine
• IUPAC Traditional name: {[2-(4-fluoro-3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}(methyl)[1-(thiophen-2-yl)ethyl]amine
• Synonyms: N-{[2-(4-fluoro-3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-N-methyl-1-(2-thienyl)ethanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.146141
• LogD (pH = 7.4): 3.8089054
• Log P: 4.2012978
• Molar Refractivity: 107.6401 cm^3
• Polarizability: 37.66268 Å^3
• Polar Surface Area: 38.5 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.97
• LOG S: -3.96
• Polar Surface Area: 38.5 Å^2
• Rotatable Bonds: 5