4-(1-{[5-(propan-2-yl)-1,2,4-oxadiazol-3-yl]methyl}-1H-imidazol-2-yl)pyridine

• ChemBase ID: 540059
• Molecular Formular: C14H15N5O
• Molecular Mass: 269.3018
• Monoisotopic Mass: 269.12766013
• SMILES: n1c(noc1C(C)C)Cn1c(ncc1)c1ccncc1
• Canonical SMILES: CC(c1onc(n1)Cn1ccnc1c1ccncc1)C
• InChI: InChI=1S/C14H15N5O/c1-10(2)14-17-12(18-20-14)9-19-8-7-16-13(19)11-3-5-15-6-4-11/h3-8,10H,9H2,1-2H3
• InChIKey: XVGQMBKINZDBCD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(1-{[5-(propan-2-yl)-1,2,4-oxadiazol-3-yl]methyl}-1H-imidazol-2-yl)pyridine
• IUPAC Traditional name: 4-{1-[(5-isopropyl-1,2,4-oxadiazol-3-yl)methyl]imidazol-2-yl}pyridine
• Synonyms: 4-{1-[(5-isopropyl-1,2,4-oxadiazol-3-yl)methyl]-1H-imidazol-2-yl}pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.7143056
• LogD (pH = 7.4): 2.2638495
• Log P: 2.280731
• Molar Refractivity: 85.2357 cm^3
• Polarizability: 28.422977 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: 0.81
• LOG S: -1.86
• Polar Surface Area: 69.63 Å^2
• Rotatable Bonds: 4