3-(morpholine-4-carbonyl)-N-[3-(1,3-oxazol-5-yl)phenyl]piperidine-1-carboxamide

• ChemBase ID: 612396
• Molecular Formular: C20H24N4O4
• Molecular Mass: 384.42896
• Monoisotopic Mass: 384.17975527
• SMILES: C(=O)(N1CC(C(=O)N2CCOCC2)CCC1)Nc1cc(c2ocnc2)ccc1
• Canonical SMILES: O=C(N1CCCC(C1)C(=O)N1CCOCC1)Nc1cccc(c1)c1cnco1
• InChI: InChI=1S/C20H24N4O4/c25-19(23-7-9-27-10-8-23)16-4-2-6-24(13-16)20(26)22-17-5-1-3-15(11-17)18-12-21-14-28-18/h1,3,5,11-12,14,16H,2,4,6-10,13H2,(H,22,26)
• InChIKey: VIOWYFLGYPBVDG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(morpholine-4-carbonyl)-N-[3-(1,3-oxazol-5-yl)phenyl]piperidine-1-carboxamide
• IUPAC Traditional name: 3-(morpholine-4-carbonyl)-N-[3-(1,3-oxazol-5-yl)phenyl]piperidine-1-carboxamide
• Synonyms: 3-(morpholin-4-ylcarbonyl)-N-[3-(1,3-oxazol-5-yl)phenyl]piperidine-1-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.162135
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.48480168
• LogD (pH = 7.4): 0.48480704
• Log P: 0.48480782
• Molar Refractivity: 104.0322 cm^3
• Polarizability: 40.312668 Å^3
• Polar Surface Area: 87.91 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 0.56
• LOG S: -2.48
• Polar Surface Area: 87.91 Å^2
• Rotatable Bonds: 3