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

• ChemBase ID: 546246
• Molecular Formular: C17H20N6O2
• Molecular Mass: 340.3797
• Monoisotopic Mass: 340.16477391
• SMILES: n1c(onc1c1ncccc1)C1N(Cc2oc(nn2)C(C)C)CCC1
• Canonical SMILES: CC(c1nnc(o1)CN1CCCC1c1onc(n1)c1ccccn1)C
• InChI: InChI=1S/C17H20N6O2/c1-11(2)16-21-20-14(24-16)10-23-9-5-7-13(23)17-19-15(22-25-17)12-6-3-4-8-18-12/h3-4,6,8,11,13H,5,7,9-10H2,1-2H3
• InChIKey: QMHQBFHOZBMHFL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 1.7549318
• LogD (pH = 7.4): 2.146609
• Log P: 2.1547961
• Molar Refractivity: 103.2196 cm^3
• Polarizability: 35.01174 Å^3
• Polar Surface Area: 93.97 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 8
• H Donor: 0
• Log P: 1.77
• LOG S: -2.19
• Polar Surface Area: 93.97 Å^2
• Rotatable Bonds: 5