3-[5-(1H-indol-2-yl)-1,3,4-oxadiazol-2-yl]-N-methyl-N-(oxolan-3-yl)propanamide

• ChemBase ID: 340103
• Molecular Formular: C18H20N4O3
• Molecular Mass: 340.3764
• Monoisotopic Mass: 340.15354052
• SMILES: c1(c2[nH]c3c(c2)cccc3)nnc(o1)CCC(=O)N(C1CCOC1)C
• Canonical SMILES: O=C(N(C1COCC1)C)CCc1nnc(o1)c1cc2c([nH]1)cccc2
• InChI: InChI=1S/C18H20N4O3/c1-22(13-8-9-24-11-13)17(23)7-6-16-20-21-18(25-16)15-10-12-4-2-3-5-14(12)19-15/h2-5,10,13,19H,6-9,11H2,1H3
• InChIKey: YVHPSYWNJLBPLI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[5-(1H-indol-2-yl)-1,3,4-oxadiazol-2-yl]-N-methyl-N-(oxolan-3-yl)propanamide
• IUPAC Traditional name: 3-[5-(1H-indol-2-yl)-1,3,4-oxadiazol-2-yl]-N-methyl-N-(oxolan-3-yl)propanamide
• Synonyms: 3-[5-(1H-indol-2-yl)-1,3,4-oxadiazol-2-yl]-N-methyl-N-(tetrahydro-3-furanyl)propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.849351
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.48778197
• LogD (pH = 7.4): 0.4877687
• Log P: 0.48778227
• Molar Refractivity: 103.6089 cm^3
• Polarizability: 36.82506 Å^3
• Polar Surface Area: 84.25 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 0.22
• LOG S: -3.57
• Polar Surface Area: 84.25 Å^2
• Rotatable Bonds: 5