5-fluoro-1-methyl-2-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]-1H-indole

• ChemBase ID: 865970
• Molecular Formular: C15H14FN3O2
• Molecular Mass: 287.2889632
• Monoisotopic Mass: 287.10700492
• SMILES: c1(c2n(c3c(c2)cc(cc3)F)C)nc(no1)C1COCC1
• Canonical SMILES: Fc1ccc2c(c1)cc(n2C)c1onc(n1)C1COCC1
• InChI: InChI=1S/C15H14FN3O2/c1-19-12-3-2-11(16)6-10(12)7-13(19)15-17-14(18-21-15)9-4-5-20-8-9/h2-3,6-7,9H,4-5,8H2,1H3
• InChIKey: AHYXSAQDWVXDPF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-fluoro-1-methyl-2-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]-1H-indole
• IUPAC Traditional name: 5-fluoro-1-methyl-2-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]indole
• Synonyms: 5-fluoro-1-methyl-2-[3-(tetrahydrofuran-3-yl)-1,2,4-oxadiazol-5-yl]-1H-indole

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.7643154
• LogD (pH = 7.4): 2.7643156
• Log P: 2.7643156
• Molar Refractivity: 86.4729 cm^3
• Polarizability: 29.596498 Å^3
• Polar Surface Area: 53.08 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.82
• LOG S: -2.85
• Polar Surface Area: 53.08 Å^2
• Rotatable Bonds: 2