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

• ChemBase ID: 460023
• Molecular Formular: C19H18N4O3S
• Molecular Mass: 382.43622
• Monoisotopic Mass: 382.10996146
• SMILES: N1(C(=O)c2ocnc2)CC(C(=O)Nc2ccc(c3ncsc3)cc2)CCC1
• Canonical SMILES: O=C(C1CCCN(C1)C(=O)c1cnco1)Nc1ccc(cc1)c1cscn1
• InChI: InChI=1S/C19H18N4O3S/c24-18(22-15-5-3-13(4-6-15)16-10-27-12-21-16)14-2-1-7-23(9-14)19(25)17-8-20-11-26-17/h3-6,8,10-12,14H,1-2,7,9H2,(H,22,24)
• InChIKey: BHTDDYJQIXFKSK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.646641
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.4882511
• LogD (pH = 7.4): 1.4883181
• Log P: 1.4883193
• Molar Refractivity: 101.9945 cm^3
• Polarizability: 39.00967 Å^3
• Polar Surface Area: 88.33 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 0.96
• LOG S: -2.81
• Polar Surface Area: 88.33 Å^2
• Rotatable Bonds: 4