5-cyclobutyl-N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-1,3,4-oxadiazol-2-amine

• ChemBase ID: 830831
• Molecular Formular: C17H21N3O2
• Molecular Mass: 299.36754
• Monoisotopic Mass: 299.16337693
• SMILES: o1c(nnc1C1CCC1)NC1c2c(cc(cc2)OC)CCC1
• Canonical SMILES: COc1ccc2c(c1)CCCC2Nc1nnc(o1)C1CCC1
• InChI: InChI=1S/C17H21N3O2/c1-21-13-8-9-14-12(10-13)6-3-7-15(14)18-17-20-19-16(22-17)11-4-2-5-11/h8-11,15H,2-7H2,1H3,(H,18,20)
• InChIKey: STVGJZHPDSVTGI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-cyclobutyl-N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-1,3,4-oxadiazol-2-amine
• IUPAC Traditional name: 5-cyclobutyl-N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-1,3,4-oxadiazol-2-amine
• Synonyms: 5-cyclobutyl-N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-1,3,4-oxadiazol-2-amine

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.0067215
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 3.014725
• LogD (pH = 7.4): 3.0137188
• Log P: 3.014738
• Molar Refractivity: 86.3492 cm^3
• Polarizability: 31.810339 Å^3
• Polar Surface Area: 60.18 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 3.23
• LOG S: -4.67
• Polar Surface Area: 60.18 Å^2
• Rotatable Bonds: 4