N-{[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl}-2-(5-methyl-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)acetamide

• ChemBase ID: 392381
• Molecular Formular: C18H15N3O5
• Molecular Mass: 353.3288
• Monoisotopic Mass: 353.1011706
• SMILES: n1(c(=O)oc2c1cc(cc2)C)CC(=O)NCc1cc(on1)c1occc1
• Canonical SMILES: O=C(Cn1c(=O)oc2c1cc(C)cc2)NCc1noc(c1)c1ccco1
• InChI: InChI=1S/C18H15N3O5/c1-11-4-5-14-13(7-11)21(18(23)25-14)10-17(22)19-9-12-8-16(26-20-12)15-3-2-6-24-15/h2-8H,9-10H2,1H3,(H,19,22)
• InChIKey: QTVVSQWOIDGEIF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl}-2-(5-methyl-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)acetamide
• IUPAC Traditional name: N-{[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl}-2-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)acetamide
• Synonyms: N-{[5-(2-furyl)isoxazol-3-yl]methyl}-2-(5-methyl-2-oxo-1,3-benzoxazol-3(2H)-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.7315445
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.4017943
• LogD (pH = 7.4): 1.4017925
• Log P: 1.4017944
• Molar Refractivity: 90.1618 cm^3
• Polarizability: 35.261635 Å^3
• Polar Surface Area: 97.81 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 1.49
• LOG S: -3.05
• Polar Surface Area: 103.41 Å^2
• Rotatable Bonds: 5