N-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyridin-2-amine

• ChemBase ID: 738884
• Molecular Formular: C18H16N6O2
• Molecular Mass: 348.35864
• Monoisotopic Mass: 348.13347378
• SMILES: n1c(onc1C)c1cnc(N(Cc2oc(nn2)c2ccccc2)C)cc1
• Canonical SMILES: Cc1noc(n1)c1ccc(nc1)N(Cc1nnc(o1)c1ccccc1)C
• InChI: InChI=1S/C18H16N6O2/c1-12-20-17(26-23-12)14-8-9-15(19-10-14)24(2)11-16-21-22-18(25-16)13-6-4-3-5-7-13/h3-10H,11H2,1-2H3
• InChIKey: OAVFROUWBIIERC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyridin-2-amine
• IUPAC Traditional name: N-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyridin-2-amine
• Synonyms: N-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-pyridinamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 2.7379985
• LogD (pH = 7.4): 2.8129725
• Log P: 2.8140216
• Molar Refractivity: 118.9521 cm^3
• Polarizability: 36.39169 Å^3
• Polar Surface Area: 93.97 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: 1.39
• LOG S: -4.39
• Polar Surface Area: 93.97 Å^2
• Rotatable Bonds: 5