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

• ChemBase ID: 553348
• Molecular Formular: C15H18ClN3O
• Molecular Mass: 291.77592
• Monoisotopic Mass: 291.11383989
• SMILES: c1(nc(c(o1)C)CN1CCNCC1)c1c(Cl)cccc1
• Canonical SMILES: Cc1oc(nc1CN1CCNCC1)c1ccccc1Cl
• InChI: InChI=1S/C15H18ClN3O/c1-11-14(10-19-8-6-17-7-9-19)18-15(20-11)12-4-2-3-5-13(12)16/h2-5,17H,6-10H2,1H3
• InChIKey: DINYZEUZGYBBKC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.8924821
• LogD (pH = 7.4): 0.4224933
• Log P: 2.2304537
• Molar Refractivity: 90.5994 cm^3
• Polarizability: 31.757635 Å^3
• Polar Surface Area: 41.3 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.13
• LOG S: -2.14
• Polar Surface Area: 41.3 Å^2
• Rotatable Bonds: 3