N,N-dimethyl-2-(4-{[5-methyl-2-(naphthalen-1-yl)-1,3-oxazol-4-yl]methyl}piperazin-1-yl)acetamide

• ChemBase ID: 385073
• Molecular Formular: C23H28N4O2
• Molecular Mass: 392.49402
• Monoisotopic Mass: 392.22122616
• SMILES: c1(nc(c(o1)C)CN1CCN(CC(=O)N(C)C)CC1)c1c2c(ccc1)cccc2
• Canonical SMILES: O=C(N(C)C)CN1CCN(CC1)Cc1nc(oc1C)c1cccc2c1cccc2
• InChI: InChI=1S/C23H28N4O2/c1-17-21(15-26-11-13-27(14-12-26)16-22(28)25(2)3)24-23(29-17)20-10-6-8-18-7-4-5-9-19(18)20/h4-10H,11-16H2,1-3H3
• InChIKey: BGFJHCOJENJLBW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dimethyl-2-(4-{[5-methyl-2-(naphthalen-1-yl)-1,3-oxazol-4-yl]methyl}piperazin-1-yl)acetamide
• IUPAC Traditional name: N,N-dimethyl-2-(4-{[5-methyl-2-(naphthalen-1-yl)-1,3-oxazol-4-yl]methyl}piperazin-1-yl)acetamide
• Synonyms: N,N-dimethyl-2-(4-{[5-methyl-2-(1-naphthyl)-1,3-oxazol-4-yl]methyl}-1-piperazinyl)acetamide

CALCULATED PROPERTIES

JChem

• Log P: 2.1173265
• Molar Refractivity: 125.2397 cm^3
• Polarizability: 45.994602 Å^3
• Polar Surface Area: 52.82 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.7418978
• LogD (pH = 7.4): 2.007322

供应商提供(Chembridge)

• Log P: 3.32
• LOG S: -1.27
• Polar Surface Area: 52.82 Å^2
• Rotatable Bonds: 5
• H Acceptors: 5
• H Donor: 0