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

• ChemBase ID: 398607
• Molecular Formular: C18H22N2O2
• Molecular Mass: 298.37948
• Monoisotopic Mass: 298.16812795
• SMILES: n1oc(cc1CCC)CNC(=O)CC1c2c(CC1)cccc2
• Canonical SMILES: CCCc1noc(c1)CNC(=O)CC1CCc2c1cccc2
• InChI: InChI=1S/C18H22N2O2/c1-2-5-15-11-16(22-20-15)12-19-18(21)10-14-9-8-13-6-3-4-7-17(13)14/h3-4,6-7,11,14H,2,5,8-10,12H2,1H3,(H,19,21)
• InChIKey: NUWALEFJTQJDOR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2,3-dihydro-1H-inden-1-yl)-N-[(3-propyl-1,2-oxazol-5-yl)methyl]acetamide
• IUPAC Traditional name: 2-(2,3-dihydro-1H-inden-1-yl)-N-[(3-propyl-1,2-oxazol-5-yl)methyl]acetamide
• Synonyms: 2-(2,3-dihydro-1H-inden-1-yl)-N-[(3-propylisoxazol-5-yl)methyl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.751443
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.094502
• LogD (pH = 7.4): 3.0945048
• Log P: 3.094505
• Molar Refractivity: 86.2246 cm^3
• Polarizability: 32.794556 Å^3
• Polar Surface Area: 55.13 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.86
• LOG S: -3.82
• Polar Surface Area: 55.13 Å^2
• Rotatable Bonds: 6