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

• ChemBase ID: 397880
• Molecular Formular: C23H23N3O2S
• Molecular Mass: 405.51262
• Monoisotopic Mass: 405.15109799
• SMILES: n1c(c(oc1c1cc(Oc2ccccc2)ccc1)C)CN(C(c1nccs1)C)C
• Canonical SMILES: CN(C(c1nccs1)C)Cc1nc(oc1C)c1cccc(c1)Oc1ccccc1
• InChI: InChI=1S/C23H23N3O2S/c1-16(23-24-12-13-29-23)26(3)15-21-17(2)27-22(25-21)18-8-7-11-20(14-18)28-19-9-5-4-6-10-19/h4-14,16H,15H2,1-3H3
• InChIKey: ZQMQPCRMEGJFER-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 4.1367097
• LogD (pH = 7.4): 4.674049
• Log P: 4.6878214
• Molar Refractivity: 124.9219 cm^3
• Polarizability: 44.935074 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: 4.72
• LOG S: -4.19
• Polar Surface Area: 51.39 Å^2
• Rotatable Bonds: 7