1-(5-phenyl-1,2,4-oxadiazol-3-yl)-4-[2-(1H-pyrazol-1-yl)ethyl]piperidine

• ChemBase ID: 490210
• Molecular Formular: C18H21N5O
• Molecular Mass: 323.39224
• Monoisotopic Mass: 323.17461032
• SMILES: n1c(noc1c1ccccc1)N1CCC(CC1)CCn1nccc1
• Canonical SMILES: c1ccc(cc1)c1onc(n1)N1CCC(CC1)CCn1cccn1
• InChI: InChI=1S/C18H21N5O/c1-2-5-16(6-3-1)17-20-18(21-24-17)22-12-7-15(8-13-22)9-14-23-11-4-10-19-23/h1-6,10-11,15H,7-9,12-14H2
• InChIKey: ZIGMTGMHHUIPMR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(5-phenyl-1,2,4-oxadiazol-3-yl)-4-[2-(1H-pyrazol-1-yl)ethyl]piperidine
• IUPAC Traditional name: 1-(5-phenyl-1,2,4-oxadiazol-3-yl)-4-[2-(pyrazol-1-yl)ethyl]piperidine
• Synonyms: 1-(5-phenyl-1,2,4-oxadiazol-3-yl)-4-[2-(1H-pyrazol-1-yl)ethyl]piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.5276926
• LogD (pH = 7.4): 3.5278282
• Log P: 3.52783
• Molar Refractivity: 116.0707 cm^3
• Polarizability: 35.331295 Å^3
• Polar Surface Area: 59.98 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.42
• LOG S: -3.62
• Polar Surface Area: 59.98 Å^2
• Rotatable Bonds: 5