N-[2-(1,3-benzoxazol-2-yl)ethyl]-5-cyclobutyl-1,3,4-oxadiazol-2-amine

• ChemBase ID: 488978
• Molecular Formular: C15H16N4O2
• Molecular Mass: 284.31314
• Monoisotopic Mass: 284.12732577
• SMILES: o1c(nnc1NCCc1nc2c(o1)cccc2)C1CCC1
• Canonical SMILES: C(Cc1nc2c(o1)cccc2)Nc1nnc(o1)C1CCC1
• InChI: InChI=1S/C15H16N4O2/c1-2-7-12-11(6-1)17-13(20-12)8-9-16-15-19-18-14(21-15)10-4-3-5-10/h1-2,6-7,10H,3-5,8-9H2,(H,16,19)
• InChIKey: IMWGDXIAWHKATD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(1,3-benzoxazol-2-yl)ethyl]-5-cyclobutyl-1,3,4-oxadiazol-2-amine
• IUPAC Traditional name: N-[2-(1,3-benzoxazol-2-yl)ethyl]-5-cyclobutyl-1,3,4-oxadiazol-2-amine
• Synonyms: N-[2-(1,3-benzoxazol-2-yl)ethyl]-5-cyclobutyl-1,3,4-oxadiazol-2-amine

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.725934
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.8404037
• LogD (pH = 7.4): 1.8403956
• Log P: 1.8404152
• Molar Refractivity: 78.3957 cm^3
• Polarizability: 29.836231 Å^3
• Polar Surface Area: 76.98 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: 2.44
• LOG S: -3.78
• Polar Surface Area: 76.98 Å^2
• Rotatable Bonds: 5