2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(4-methyl-2-oxo-2H-chromen-7-yl)piperidine-1-carboxamide

• ChemBase ID: 390273
• Molecular Formular: C19H20N4O4
• Molecular Mass: 368.3865
• Monoisotopic Mass: 368.14845514
• SMILES: c1(nc(no1)C)C1N(C(=O)Nc2cc3oc(=O)cc(c3cc2)C)CCCC1
• Canonical SMILES: Cc1noc(n1)C1CCCCN1C(=O)Nc1ccc2c(c1)oc(=O)cc2C
• InChI: InChI=1S/C19H20N4O4/c1-11-9-17(24)26-16-10-13(6-7-14(11)16)21-19(25)23-8-4-3-5-15(23)18-20-12(2)22-27-18/h6-7,9-10,15H,3-5,8H2,1-2H3,(H,21,25)
• InChIKey: WHSOJEGXBXJAGX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(4-methyl-2-oxo-2H-chromen-7-yl)piperidine-1-carboxamide
• IUPAC Traditional name: 2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(4-methyl-2-oxochromen-7-yl)piperidine-1-carboxamide
• Synonyms: 2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(4-methyl-2-oxo-2H-chromen-7-yl)piperidine-1-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.981861
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.7247102
• LogD (pH = 7.4): 2.7247093
• Log P: 2.7247102
• Molar Refractivity: 100.2311 cm^3
• Polarizability: 36.725536 Å^3
• Polar Surface Area: 97.56 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 1.58
• LOG S: -3.23
• Polar Surface Area: 101.47 Å^2
• Rotatable Bonds: 2