5-(2,3-dihydro-1H-inden-1-ylmethyl)-3-(2-methoxyethyl)-1,2,4-oxadiazole

• ChemBase ID: 529434
• Molecular Formular: C15H18N2O2
• Molecular Mass: 258.31562
• Monoisotopic Mass: 258.13682783
• SMILES: n1c(onc1CCOC)CC1c2c(CC1)cccc2
• Canonical SMILES: COCCc1noc(n1)CC1CCc2c1cccc2
• InChI: InChI=1S/C15H18N2O2/c1-18-9-8-14-16-15(19-17-14)10-12-7-6-11-4-2-3-5-13(11)12/h2-5,12H,6-10H2,1H3
• InChIKey: FLALTVFITMTRKX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(2,3-dihydro-1H-inden-1-ylmethyl)-3-(2-methoxyethyl)-1,2,4-oxadiazole
• IUPAC Traditional name: 5-(2,3-dihydro-1H-inden-1-ylmethyl)-3-(2-methoxyethyl)-1,2,4-oxadiazole
• Synonyms: 5-(2,3-dihydro-1H-inden-1-ylmethyl)-3-(2-methoxyethyl)-1,2,4-oxadiazole

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.0385098
• LogD (pH = 7.4): 3.03851
• Log P: 3.03851
• Molar Refractivity: 74.0025 cm^3
• Polarizability: 27.575138 Å^3
• Polar Surface Area: 48.15 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.48
• LOG S: -3.2
• Polar Surface Area: 48.15 Å^2
• Rotatable Bonds: 5