N-methyl-5-propyl-N-(quinolin-8-ylmethyl)-1,3,4-oxadiazole-2-carboxamide

• ChemBase ID: 546379
• Molecular Formular: C17H18N4O2
• Molecular Mass: 310.35042
• Monoisotopic Mass: 310.14297584
• SMILES: c1(nnc(o1)CCC)C(=O)N(Cc1c2ncccc2ccc1)C
• Canonical SMILES: CCCc1nnc(o1)C(=O)N(Cc1cccc2c1nccc2)C
• InChI: InChI=1S/C17H18N4O2/c1-3-6-14-19-20-16(23-14)17(22)21(2)11-13-8-4-7-12-9-5-10-18-15(12)13/h4-5,7-10H,3,6,11H2,1-2H3
• InChIKey: MWWRIXLHHJAKRQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-5-propyl-N-(quinolin-8-ylmethyl)-1,3,4-oxadiazole-2-carboxamide
• IUPAC Traditional name: N-methyl-5-propyl-N-(quinolin-8-ylmethyl)-1,3,4-oxadiazole-2-carboxamide
• Synonyms: N-methyl-5-propyl-N-(quinolin-8-ylmethyl)-1,3,4-oxadiazole-2-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.7635427
• LogD (pH = 7.4): 1.7803016
• Log P: 1.7805198
• Molar Refractivity: 87.5351 cm^3
• Polarizability: 33.61432 Å^3
• Polar Surface Area: 72.12 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.87
• LOG S: -3.06
• Polar Surface Area: 72.12 Å^2
• Rotatable Bonds: 5