5-cyclopropyl-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-1,3,4-oxadiazol-2-amine

• ChemBase ID: 738286
• Molecular Formular: C16H18N4O2
• Molecular Mass: 298.33972
• Monoisotopic Mass: 298.14297584
• SMILES: o1c(nnc1NCCc1c2c([nH]c1)ccc(c2)OC)C1CC1
• Canonical SMILES: COc1ccc2c(c1)c(CCNc1nnc(o1)C1CC1)c[nH]2
• InChI: InChI=1S/C16H18N4O2/c1-21-12-4-5-14-13(8-12)11(9-18-14)6-7-17-16-20-19-15(22-16)10-2-3-10/h4-5,8-10,18H,2-3,6-7H2,1H3,(H,17,20)
• InChIKey: YRTFWMQACFGWDA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-cyclopropyl-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-1,3,4-oxadiazol-2-amine
• IUPAC Traditional name: 5-cyclopropyl-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-1,3,4-oxadiazol-2-amine
• Synonyms: 5-cyclopropyl-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-1,3,4-oxadiazol-2-amine

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.904404
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.9687973
• LogD (pH = 7.4): 1.9687867
• Log P: 1.9687997
• Molar Refractivity: 85.4079 cm^3
• Polarizability: 32.206184 Å^3
• Polar Surface Area: 75.97 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 1.6
• LOG S: -3.82
• Polar Surface Area: 75.97 Å^2
• Rotatable Bonds: 6