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

• ChemBase ID: 567690
• Molecular Formular: C15H18N4O
• Molecular Mass: 270.32962
• Monoisotopic Mass: 270.14806122
• SMILES: o1c(nnc1CCC)NCCc1c[nH]c2c1cccc2
• Canonical SMILES: CCCc1nnc(o1)NCCc1c[nH]c2c1cccc2
• InChI: InChI=1S/C15H18N4O/c1-2-5-14-18-19-15(20-14)16-9-8-11-10-17-13-7-4-3-6-12(11)13/h3-4,6-7,10,17H,2,5,8-9H2,1H3,(H,16,19)
• InChIKey: HBBKNVMLXLBSPH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.99491
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.4917781
• LogD (pH = 7.4): 2.4917688
• Log P: 2.4917793
• Molar Refractivity: 80.7734 cm^3
• Polarizability: 30.420424 Å^3
• Polar Surface Area: 66.74 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 2.77
• LOG S: -3.53
• Polar Surface Area: 66.74 Å^2
• Rotatable Bonds: 6