1-(5-cyclopropyl-1,3-oxazole-4-carbonyl)-2-(3-fluorophenyl)piperidine

• ChemBase ID: 493720
• Molecular Formular: C18H19FN2O2
• Molecular Mass: 314.3540632
• Monoisotopic Mass: 314.14305608
• SMILES: c1(C(=O)N2C(c3cc(F)ccc3)CCCC2)c(C2CC2)ocn1
• Canonical SMILES: Fc1cccc(c1)C1CCCCN1C(=O)c1ncoc1C1CC1
• InChI: InChI=1S/C18H19FN2O2/c19-14-5-3-4-13(10-14)15-6-1-2-9-21(15)18(22)16-17(12-7-8-12)23-11-20-16/h3-5,10-12,15H,1-2,6-9H2
• InChIKey: IUHFJKSNGAAFJM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.9996188
• LogD (pH = 7.4): 2.9996188
• Log P: 2.9996188
• Molar Refractivity: 84.2515 cm^3
• Polarizability: 31.63834 Å^3
• Polar Surface Area: 46.34 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.01
• LOG S: -3.21
• Polar Surface Area: 46.34 Å^2
• Rotatable Bonds: 3