4-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-1-(5-methyl-1,3-oxazole-4-carbonyl)piperidine

• ChemBase ID: 678207
• Molecular Formular: C18H17FN4O3
• Molecular Mass: 356.3509832
• Monoisotopic Mass: 356.12846864
• SMILES: c1(C(=O)N2CCC(c3oc(nn3)c3ccc(cc3)F)CC2)ncoc1C
• Canonical SMILES: Fc1ccc(cc1)c1nnc(o1)C1CCN(CC1)C(=O)c1ncoc1C
• InChI: InChI=1S/C18H17FN4O3/c1-11-15(20-10-25-11)18(24)23-8-6-13(7-9-23)17-22-21-16(26-17)12-2-4-14(19)5-3-12/h2-5,10,13H,6-9H2,1H3
• InChIKey: SQYYRCZTWOBDSP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-1-(5-methyl-1,3-oxazole-4-carbonyl)piperidine
• IUPAC Traditional name: 4-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-1-(5-methyl-1,3-oxazole-4-carbonyl)piperidine
• Synonyms: 4-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-1-[(5-methyl-1,3-oxazol-4-yl)carbonyl]piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.3402201
• LogD (pH = 7.4): 1.3402201
• Log P: 1.3402201
• Molar Refractivity: 102.8974 cm^3
• Polarizability: 34.14809 Å^3
• Polar Surface Area: 85.26 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: -0.14
• LOG S: -2.99
• Polar Surface Area: 85.26 Å^2
• Rotatable Bonds: 3