3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-[1-(pyrazin-2-yl)piperidin-4-yl]propanamide

• ChemBase ID: 657522
• Molecular Formular: C20H22N6O2
• Molecular Mass: 378.42768
• Monoisotopic Mass: 378.18042397
• SMILES: n1c(noc1CCC(=O)NC1CCN(c2nccnc2)CC1)c1ccccc1
• Canonical SMILES: O=C(NC1CCN(CC1)c1cnccn1)CCc1onc(n1)c1ccccc1
• InChI: InChI=1S/C20H22N6O2/c27-18(6-7-19-24-20(25-28-19)15-4-2-1-3-5-15)23-16-8-12-26(13-9-16)17-14-21-10-11-22-17/h1-5,10-11,14,16H,6-9,12-13H2,(H,23,27)
• InChIKey: GJCOFJVBFPDQDX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-[1-(pyrazin-2-yl)piperidin-4-yl]propanamide
• IUPAC Traditional name: 3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-[1-(pyrazin-2-yl)piperidin-4-yl]propanamide
• Synonyms: 3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-[1-(2-pyrazinyl)-4-piperidinyl]propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.947269
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 1.7850434
• LogD (pH = 7.4): 1.7851564
• Log P: 1.7851578
• Molar Refractivity: 116.0874 cm^3
• Polarizability: 39.879417 Å^3
• Polar Surface Area: 97.04 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 1.86
• LOG S: -3.55
• Polar Surface Area: 97.04 Å^2
• Rotatable Bonds: 6