N-(4-fluoro-2-methylphenyl)-3-[1-(1,3-oxazole-5-carbonyl)piperidin-3-yl]propanamide

• ChemBase ID: 483656
• Molecular Formular: C19H22FN3O3
• Molecular Mass: 359.3946832
• Monoisotopic Mass: 359.1645198
• SMILES: C(=O)(N1CC(CCC(=O)Nc2c(cc(cc2)F)C)CCC1)c1ocnc1
• Canonical SMILES: O=C(Nc1ccc(cc1C)F)CCC1CCCN(C1)C(=O)c1cnco1
• InChI: InChI=1S/C19H22FN3O3/c1-13-9-15(20)5-6-16(13)22-18(24)7-4-14-3-2-8-23(11-14)19(25)17-10-21-12-26-17/h5-6,9-10,12,14H,2-4,7-8,11H2,1H3,(H,22,24)
• InChIKey: RTAJJEIFNDTCOA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4-fluoro-2-methylphenyl)-3-[1-(1,3-oxazole-5-carbonyl)piperidin-3-yl]propanamide
• IUPAC Traditional name: N-(4-fluoro-2-methylphenyl)-3-[1-(1,3-oxazole-5-carbonyl)piperidin-3-yl]propanamide
• Synonyms: N-(4-fluoro-2-methylphenyl)-3-[1-(1,3-oxazol-5-ylcarbonyl)piperidin-3-yl]propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.6285515
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.0077903
• LogD (pH = 7.4): 2.0077906
• Log P: 2.0077906
• Molar Refractivity: 96.5326 cm^3
• Polarizability: 35.453297 Å^3
• Polar Surface Area: 75.44 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.18
• LOG S: -2.83
• Polar Surface Area: 75.44 Å^2
• Rotatable Bonds: 5