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

• ChemBase ID: 518026
• Molecular Formular: C19H20ClN5O
• Molecular Mass: 369.848
• Monoisotopic Mass: 369.13563797
• SMILES: n1c(c(oc1c1cc(Cl)ccc1)C)CN1CCN(c2nccnc2)CC1
• Canonical SMILES: Clc1cccc(c1)c1oc(c(n1)CN1CCN(CC1)c1cnccn1)C
• InChI: InChI=1S/C19H20ClN5O/c1-14-17(23-19(26-14)15-3-2-4-16(20)11-15)13-24-7-9-25(10-8-24)18-12-21-5-6-22-18/h2-6,11-12H,7-10,13H2,1H3
• InChIKey: JYCJCPRIAFLGKE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.6685039
• LogD (pH = 7.4): 2.6175377
• Log P: 2.6637347
• Molar Refractivity: 112.3923 cm^3
• Polarizability: 39.160774 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: 2.33
• LOG S: -3.83
• Polar Surface Area: 58.29 Å^2
• Rotatable Bonds: 4