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

• ChemBase ID: 369711
• Molecular Formular: C14H12N4O
• Molecular Mass: 252.27128
• Monoisotopic Mass: 252.10111102
• SMILES: c1(nnc(o1)C)c1c(c2cc(N)cnc2)cccc1
• Canonical SMILES: Nc1cncc(c1)c1ccccc1c1nnc(o1)C
• InChI: InChI=1S/C14H12N4O/c1-9-17-18-14(19-9)13-5-3-2-4-12(13)10-6-11(15)8-16-7-10/h2-8H,15H2,1H3
• InChIKey: CIOPXRWHPOOQHX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.5386542
• LogD (pH = 7.4): 0.7004986
• Log P: 0.70314753
• Molar Refractivity: 84.2056 cm^3
• Polarizability: 28.686848 Å^3
• Polar Surface Area: 77.83 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: -0.29
• LOG S: -0.79
• Polar Surface Area: 77.83 Å^2
• Rotatable Bonds: 2