1-[(3-fluorophenyl)methyl]-4-{[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl}piperazine

• ChemBase ID: 565616
• Molecular Formular: C23H26FN3O
• Molecular Mass: 379.4704432
• Monoisotopic Mass: 379.20599069
• SMILES: n1c(c(oc1c1cc(ccc1)C)C)CN1CCN(Cc2cc(F)ccc2)CC1
• Canonical SMILES: Fc1cccc(c1)CN1CCN(CC1)Cc1nc(oc1C)c1cccc(c1)C
• InChI: InChI=1S/C23H26FN3O/c1-17-5-3-7-20(13-17)23-25-22(18(2)28-23)16-27-11-9-26(10-12-27)15-19-6-4-8-21(24)14-19/h3-8,13-14H,9-12,15-16H2,1-2H3
• InChIKey: YGCWPVGFNDDCEK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[(3-fluorophenyl)methyl]-4-{[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl}piperazine
• IUPAC Traditional name: 1-[(3-fluorophenyl)methyl]-4-{[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl}piperazine
• Synonyms: 1-(3-fluorobenzyl)-4-{[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl}piperazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.6182299
• LogD (pH = 7.4): 4.148208
• Log P: 4.3900533
• Molar Refractivity: 120.9595 cm^3
• Polarizability: 42.728134 Å^3
• Polar Surface Area: 32.51 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 4.81
• LOG S: -3.44
• Polar Surface Area: 32.51 Å^2
• Rotatable Bonds: 5