2-(4-{[5-methyl-2-(thiophen-3-yl)-1,3-oxazol-4-yl]methyl}piperazin-1-yl)pyrazine

• ChemBase ID: 834580
• Molecular Formular: C17H19N5OS
• Molecular Mass: 341.43066
• Monoisotopic Mass: 341.13103125
• SMILES: c1(nc(c(o1)C)CN1CCN(c2nccnc2)CC1)c1cscc1
• Canonical SMILES: Cc1oc(nc1CN1CCN(CC1)c1cnccn1)c1cscc1
• InChI: InChI=1S/C17H19N5OS/c1-13-15(20-17(23-13)14-2-9-24-12-14)11-21-5-7-22(8-6-21)16-10-18-3-4-19-16/h2-4,9-10,12H,5-8,11H2,1H3
• InChIKey: CLJMDZXEKFDEKS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-{[5-methyl-2-(thiophen-3-yl)-1,3-oxazol-4-yl]methyl}piperazin-1-yl)pyrazine
• IUPAC Traditional name: 2-(4-{[5-methyl-2-(thiophen-3-yl)-1,3-oxazol-4-yl]methyl}piperazin-1-yl)pyrazine
• Synonyms: 2-(4-{[5-methyl-2-(3-thienyl)-1,3-oxazol-4-yl]methyl}-1-piperazinyl)pyrazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 0.8943404
• LogD (pH = 7.4): 1.7992258
• Log P: 1.8401319
• Molar Refractivity: 104.6933 cm^3
• Polarizability: 35.968296 Å^3
• Polar Surface Area: 58.29 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.51
• LOG S: -3.02
• Polar Surface Area: 58.29 Å^2
• Rotatable Bonds: 4