1-{3-[(5-phenyl-1,2-oxazol-4-yl)formamido]propyl}piperidine-3-carboxamide

• ChemBase ID: 657115
• Molecular Formular: C19H24N4O3
• Molecular Mass: 356.41886
• Monoisotopic Mass: 356.18484065
• SMILES: c1(c(onc1)c1ccccc1)C(=O)NCCCN1CC(C(=O)N)CCC1
• Canonical SMILES: NC(=O)C1CCCN(C1)CCCNC(=O)c1cnoc1c1ccccc1
• InChI: InChI=1S/C19H24N4O3/c20-18(24)15-8-4-10-23(13-15)11-5-9-21-19(25)16-12-22-26-17(16)14-6-2-1-3-7-14/h1-3,6-7,12,15H,4-5,8-11,13H2,(H2,20,24)(H,21,25)
• InChIKey: DWAMUUCKEDLQIP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-{3-[(5-phenyl-1,2-oxazol-4-yl)formamido]propyl}piperidine-3-carboxamide
• IUPAC Traditional name: 1-{3-[(5-phenyl-1,2-oxazol-4-yl)formamido]propyl}piperidine-3-carboxamide
• Synonyms: 1-(3-{[(5-phenylisoxazol-4-yl)carbonyl]amino}propyl)piperidine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.862167
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -2.7517178
• LogD (pH = 7.4): -1.1892656
• Log P: 0.48001382
• Molar Refractivity: 99.4234 cm^3
• Polarizability: 38.688633 Å^3
• Polar Surface Area: 101.46 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 0.26
• LOG S: -3.33
• Polar Surface Area: 101.46 Å^2
• Rotatable Bonds: 7