1-{[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl}-1H-indazole

• ChemBase ID: 398388
• Molecular Formular: C15H16N4O2
• Molecular Mass: 284.31314
• Monoisotopic Mass: 284.12732577
• SMILES: n1(ncc2c1cccc2)Cc1nc(no1)CC1OCCC1
• Canonical SMILES: C1COC(C1)Cc1noc(n1)Cn1ncc2c1cccc2
• InChI: InChI=1S/C15H16N4O2/c1-2-6-13-11(4-1)9-16-19(13)10-15-17-14(18-21-15)8-12-5-3-7-20-12/h1-2,4,6,9,12H,3,5,7-8,10H2
• InChIKey: FNBWYMXUHYFNTG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-{[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl}-1H-indazole
• IUPAC Traditional name: 1-{[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl}indazole
• Synonyms: 1-{[3-(tetrahydro-2-furanylmethyl)-1,2,4-oxadiazol-5-yl]methyl}-1H-indazole

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.0328705
• LogD (pH = 7.4): 2.0328817
• Log P: 2.032882
• Molar Refractivity: 88.8332 cm^3
• Polarizability: 30.19486 Å^3
• Polar Surface Area: 65.97 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.0
• LOG S: -2.13
• Polar Surface Area: 65.97 Å^2
• Rotatable Bonds: 4