4-[2-(3-ethyl-1,2-oxazol-5-yl)-1H-imidazol-1-yl]-N-phenylpiperidine-1-carboxamide

• ChemBase ID: 788189
• Molecular Formular: C20H23N5O2
• Molecular Mass: 365.42892
• Monoisotopic Mass: 365.185175
• SMILES: c1(c2n(C3CCN(C(=O)Nc4ccccc4)CC3)ccn2)onc(c1)CC
• Canonical SMILES: CCc1noc(c1)c1nccn1C1CCN(CC1)C(=O)Nc1ccccc1
• InChI: InChI=1S/C20H23N5O2/c1-2-15-14-18(27-23-15)19-21-10-13-25(19)17-8-11-24(12-9-17)20(26)22-16-6-4-3-5-7-16/h3-7,10,13-14,17H,2,8-9,11-12H2,1H3,(H,22,26)
• InChIKey: GZRDVPCHLREUNB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[2-(3-ethyl-1,2-oxazol-5-yl)-1H-imidazol-1-yl]-N-phenylpiperidine-1-carboxamide
• IUPAC Traditional name: 4-[2-(3-ethyl-1,2-oxazol-5-yl)imidazol-1-yl]-N-phenylpiperidine-1-carboxamide
• Synonyms: 4-[2-(3-ethylisoxazol-5-yl)-1H-imidazol-1-yl]-N-phenylpiperidine-1-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.424073
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.3393748
• LogD (pH = 7.4): 2.380518
• Log P: 2.3810742
• Molar Refractivity: 114.4031 cm^3
• Polarizability: 39.2632 Å^3
• Polar Surface Area: 76.19 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.33
• LOG S: -3.0
• Polar Surface Area: 76.19 Å^2
• Rotatable Bonds: 4