1-{[2-(2,5-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-3-methylpiperazine

• ChemBase ID: 399979
• Molecular Formular: C18H25N3O3
• Molecular Mass: 331.4094
• Monoisotopic Mass: 331.18959168
• SMILES: c1(nc(c(o1)C)CN1CC(NCC1)C)c1c(ccc(c1)OC)OC
• Canonical SMILES: COc1ccc(cc1c1nc(c(o1)C)CN1CCNC(C1)C)OC
• InChI: InChI=1S/C18H25N3O3/c1-12-10-21(8-7-19-12)11-16-13(2)24-18(20-16)15-9-14(22-3)5-6-17(15)23-4/h5-6,9,12,19H,7-8,10-11H2,1-4H3
• InChIKey: JVUGMZDLINUIBN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-{[2-(2,5-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-3-methylpiperazine
• IUPAC Traditional name: 1-{[2-(2,5-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-3-methylpiperazine
• Synonyms: 1-{[2-(2,5-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-3-methylpiperazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -1.4212985
• LogD (pH = 7.4): -0.1653705
• Log P: 1.7276416
• Molar Refractivity: 103.1398 cm^3
• Polarizability: 36.75755 Å^3
• Polar Surface Area: 59.76 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 2.4
• LOG S: -2.66
• Polar Surface Area: 59.76 Å^2
• Rotatable Bonds: 5