1-methyl-4-{5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]pyridin-2-yl}piperazine

• ChemBase ID: 535213
• Molecular Formular: C19H21N5O2
• Molecular Mass: 351.40234
• Monoisotopic Mass: 351.16952494
• SMILES: n1c(onc1COc1ccccc1)c1cnc(N2CCN(CC2)C)cc1
• Canonical SMILES: CN1CCN(CC1)c1ccc(cn1)c1onc(n1)COc1ccccc1
• InChI: InChI=1S/C19H21N5O2/c1-23-9-11-24(12-10-23)18-8-7-15(13-20-18)19-21-17(22-26-19)14-25-16-5-3-2-4-6-16/h2-8,13H,9-12,14H2,1H3
• InChIKey: OGBRWQVOMOIIDF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 1.3866574
• LogD (pH = 7.4): 2.9774795
• Log P: 3.2674727
• Molar Refractivity: 110.9975 cm^3
• Polarizability: 38.07362 Å^3
• Polar Surface Area: 67.52 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 2.97
• LOG S: -3.29
• Polar Surface Area: 67.52 Å^2
• Rotatable Bonds: 5