N-(furan-2-ylmethyl)-2-(2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)-N-(prop-2-en-1-yl)acetamide

• ChemBase ID: 676740
• Molecular Formular: C17H16N2O4
• Molecular Mass: 312.31994
• Monoisotopic Mass: 312.111007
• SMILES: n1(c(=O)oc2c1cccc2)CC(=O)N(Cc1occc1)CC=C
• Canonical SMILES: C=CCN(C(=O)Cn1c(=O)oc2c1cccc2)Cc1ccco1
• InChI: InChI=1S/C17H16N2O4/c1-2-9-18(11-13-6-5-10-22-13)16(20)12-19-14-7-3-4-8-15(14)23-17(19)21/h2-8,10H,1,9,11-12H2
• InChIKey: CBYXZKQFFNSUQX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(furan-2-ylmethyl)-2-(2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)-N-(prop-2-en-1-yl)acetamide
• IUPAC Traditional name: N-(furan-2-ylmethyl)-2-(2-oxo-1,3-benzoxazol-3-yl)-N-(prop-2-en-1-yl)acetamide
• Synonyms: N-allyl-N-(2-furylmethyl)-2-(2-oxo-1,3-benzoxazol-3(2H)-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.085898
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.8300551
• LogD (pH = 7.4): 1.8300551
• Log P: 1.8300551
• Molar Refractivity: 83.2465 cm^3
• Polarizability: 31.808422 Å^3
• Polar Surface Area: 62.99 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.41
• LOG S: -3.53
• Polar Surface Area: 68.59 Å^2
• Rotatable Bonds: 6