N-ethyl-3-{5-[2-(2-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl}-N-[2-(1H-pyrazol-1-yl)ethyl]propanamide

• ChemBase ID: 443118
• Molecular Formular: C21H27N5O3
• Molecular Mass: 397.47078
• Monoisotopic Mass: 397.21138975
• SMILES: n1nc(oc1CCc1c(OC)cccc1)CCC(=O)N(CCn1nccc1)CC
• Canonical SMILES: CCN(C(=O)CCc1nnc(o1)CCc1ccccc1OC)CCn1cccn1
• InChI: InChI=1S/C21H27N5O3/c1-3-25(15-16-26-14-6-13-22-26)21(27)12-11-20-24-23-19(29-20)10-9-17-7-4-5-8-18(17)28-2/h4-8,13-14H,3,9-12,15-16H2,1-2H3
• InChIKey: FOOJTGGYLRVDMF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.3735806
• LogD (pH = 7.4): 1.3737117
• Log P: 1.3737134
• Molar Refractivity: 121.901 cm^3
• Polarizability: 41.60394 Å^3
• Polar Surface Area: 86.28 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 0
• Log P: 0.72
• LOG S: -3.92
• Polar Surface Area: 86.28 Å^2
• Rotatable Bonds: 9