N-(furan-2-ylmethyl)-3-(3-methoxyphenyl)-4H,5H,6H,7H-[1,2]oxazolo[4,5-c]pyridine-5-carboxamide

• ChemBase ID: 436366
• Molecular Formular: C19H19N3O4
• Molecular Mass: 353.37186
• Monoisotopic Mass: 353.1375561
• SMILES: c12c(noc2CCN(C1)C(=O)NCc1occc1)c1cc(OC)ccc1
• Canonical SMILES: COc1cccc(c1)c1noc2c1CN(CC2)C(=O)NCc1ccco1
• InChI: InChI=1S/C19H19N3O4/c1-24-14-5-2-4-13(10-14)18-16-12-22(8-7-17(16)26-21-18)19(23)20-11-15-6-3-9-25-15/h2-6,9-10H,7-8,11-12H2,1H3,(H,20,23)
• InChIKey: RBRINZKKMZWNGA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(furan-2-ylmethyl)-3-(3-methoxyphenyl)-4H,5H,6H,7H-[1,2]oxazolo[4,5-c]pyridine-5-carboxamide
• IUPAC Traditional name: N-(furan-2-ylmethyl)-3-(3-methoxyphenyl)-4H,6H,7H-[1,2]oxazolo[4,5-c]pyridine-5-carboxamide
• Synonyms: N-(2-furylmethyl)-3-(3-methoxyphenyl)-6,7-dihydroisoxazolo[4,5-c]pyridine-5(4H)-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.0173435
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.7875249
• LogD (pH = 7.4): 1.787525
• Log P: 1.7875252
• Molar Refractivity: 95.4157 cm^3
• Polarizability: 37.06496 Å^3
• Polar Surface Area: 80.74 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: 2.28
• LOG S: -4.21
• Polar Surface Area: 80.74 Å^2
• Rotatable Bonds: 3