N-[(1-ethyl-1H-pyrazol-4-yl)methyl]-3-[5-(3-phenylpropyl)-1,3,4-oxadiazol-2-yl]propanamide

• ChemBase ID: 518755
• Molecular Formular: C20H25N5O2
• Molecular Mass: 367.4448
• Monoisotopic Mass: 367.20082507
• SMILES: n1nc(oc1CCC(=O)NCc1cn(nc1)CC)CCCc1ccccc1
• Canonical SMILES: CCn1ncc(c1)CNC(=O)CCc1nnc(o1)CCCc1ccccc1
• InChI: InChI=1S/C20H25N5O2/c1-2-25-15-17(14-22-25)13-21-18(26)11-12-20-24-23-19(27-20)10-6-9-16-7-4-3-5-8-16/h3-5,7-8,14-15H,2,6,9-13H2,1H3,(H,21,26)
• InChIKey: BOUWTZGPRRRHMP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(1-ethyl-1H-pyrazol-4-yl)methyl]-3-[5-(3-phenylpropyl)-1,3,4-oxadiazol-2-yl]propanamide
• IUPAC Traditional name: N-[(1-ethylpyrazol-4-yl)methyl]-3-[5-(3-phenylpropyl)-1,3,4-oxadiazol-2-yl]propanamide
• Synonyms: N-[(1-ethyl-1H-pyrazol-4-yl)methyl]-3-[5-(3-phenylpropyl)-1,3,4-oxadiazol-2-yl]propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.757283
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.6749539
• LogD (pH = 7.4): 1.6750286
• Log P: 1.6750295
• Molar Refractivity: 115.6657 cm^3
• Polarizability: 38.988308 Å^3
• Polar Surface Area: 85.84 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 0.51
• LOG S: -5.33
• Polar Surface Area: 85.84 Å^2
• Rotatable Bonds: 9