4-{5-[1-(1H-pyrazol-1-yl)propyl]-1,2,4-oxadiazol-3-yl}pyridine

• ChemBase ID: 713842
• Molecular Formular: C13H13N5O
• Molecular Mass: 255.27522
• Monoisotopic Mass: 255.11201006
• SMILES: n1c(C(n2nccc2)CC)onc1c1ccncc1
• Canonical SMILES: CCC(n1cccn1)c1onc(n1)c1ccncc1
• InChI: InChI=1S/C13H13N5O/c1-2-11(18-9-3-6-15-18)13-16-12(17-19-13)10-4-7-14-8-5-10/h3-9,11H,2H2,1H3
• InChIKey: LRUGZNQPOGUHGN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{5-[1-(1H-pyrazol-1-yl)propyl]-1,2,4-oxadiazol-3-yl}pyridine
• IUPAC Traditional name: 4-{5-[1-(pyrazol-1-yl)propyl]-1,2,4-oxadiazol-3-yl}pyridine
• Synonyms: 4-{5-[1-(1H-pyrazol-1-yl)propyl]-1,2,4-oxadiazol-3-yl}pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.1671963
• LogD (pH = 7.4): 2.1678588
• Log P: 2.1678674
• Molar Refractivity: 91.7892 cm^3
• Polarizability: 26.672966 Å^3
• Polar Surface Area: 69.63 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: 1.99
• LOG S: -2.76
• Polar Surface Area: 69.63 Å^2
• Rotatable Bonds: 4