N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-propyl-1,3,4-oxadiazole-2-carboxamide

• ChemBase ID: 553840
• Molecular Formular: C11H15N5O3
• Molecular Mass: 265.2685
• Monoisotopic Mass: 265.11748937
• SMILES: c1(nnc(o1)CCC)C(=O)N(Cc1nc(on1)C)C
• Canonical SMILES: CCCc1nnc(o1)C(=O)N(Cc1noc(n1)C)C
• InChI: InChI=1S/C11H15N5O3/c1-4-5-9-13-14-10(18-9)11(17)16(3)6-8-12-7(2)19-15-8/h4-6H2,1-3H3
• InChIKey: BAQHAKLNCVOUHS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-propyl-1,3,4-oxadiazole-2-carboxamide
• IUPAC Traditional name: N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-propyl-1,3,4-oxadiazole-2-carboxamide
• Synonyms: N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-propyl-1,3,4-oxadiazole-2-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 0.03677101
• LogD (pH = 7.4): 0.036771026
• Log P: 0.036771026
• Molar Refractivity: 68.1813 cm^3
• Polarizability: 24.094398 Å^3
• Polar Surface Area: 98.15 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 0
• Log P: -0.07
• LOG S: -2.38
• Polar Surface Area: 98.15 Å^2
• Rotatable Bonds: 5