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

• ChemBase ID: 650537
• Molecular Formular: C19H18N2O3
• Molecular Mass: 322.35782
• Monoisotopic Mass: 322.13174245
• SMILES: c1(cc(no1)CNC(=O)CC1c2c(CC1)cccc2)c1occc1
• Canonical SMILES: O=C(CC1CCc2c1cccc2)NCc1noc(c1)c1ccco1
• InChI: InChI=1S/C19H18N2O3/c22-19(10-14-8-7-13-4-1-2-5-16(13)14)20-12-15-11-18(24-21-15)17-6-3-9-23-17/h1-6,9,11,14H,7-8,10,12H2,(H,20,22)
• InChIKey: YQHDRWCVTPRELD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.862928
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.6069741
• LogD (pH = 7.4): 2.6069741
• Log P: 2.6069744
• Molar Refractivity: 89.4101 cm^3
• Polarizability: 35.185028 Å^3
• Polar Surface Area: 68.27 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 3.01
• LOG S: -4.12
• Polar Surface Area: 68.27 Å^2
• Rotatable Bonds: 5