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

• ChemBase ID: 340785
• Molecular Formular: C16H23N5O2
• Molecular Mass: 317.38612
• Monoisotopic Mass: 317.185175
• SMILES: c1(oc(nn1)CCC)NCC(N1CCOCC1)c1ccncc1
• Canonical SMILES: CCCc1nnc(o1)NCC(c1ccncc1)N1CCOCC1
• InChI: InChI=1S/C16H23N5O2/c1-2-3-15-19-20-16(23-15)18-12-14(13-4-6-17-7-5-13)21-8-10-22-11-9-21/h4-7,14H,2-3,8-12H2,1H3,(H,18,20)
• InChIKey: ORDHKACVISWMPO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.148914
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 0.3320226
• LogD (pH = 7.4): 0.73776466
• Log P: 0.7465947
• Molar Refractivity: 89.5388 cm^3
• Polarizability: 33.274773 Å^3
• Polar Surface Area: 76.31 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 0.51
• LOG S: 0.36
• Polar Surface Area: 76.31 Å^2
• Rotatable Bonds: 7