N-methyl-N-(2-phenoxyethyl)-3-[5-(2-phenylethyl)-1,3,4-oxadiazol-2-yl]propanamide

• ChemBase ID: 317844
• Molecular Formular: C22H25N3O3
• Molecular Mass: 379.4522
• Monoisotopic Mass: 379.18959168
• SMILES: n1nc(oc1CCc1ccccc1)CCC(=O)N(CCOc1ccccc1)C
• Canonical SMILES: CN(C(=O)CCc1nnc(o1)CCc1ccccc1)CCOc1ccccc1
• InChI: InChI=1S/C22H25N3O3/c1-25(16-17-27-19-10-6-3-7-11-19)22(26)15-14-21-24-23-20(28-21)13-12-18-8-4-2-5-9-18/h2-11H,12-17H2,1H3
• InChIKey: QRSXOLKGOOCCCS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-N-(2-phenoxyethyl)-3-[5-(2-phenylethyl)-1,3,4-oxadiazol-2-yl]propanamide
• IUPAC Traditional name: N-methyl-N-(2-phenoxyethyl)-3-[5-(2-phenylethyl)-1,3,4-oxadiazol-2-yl]propanamide
• Synonyms: N-methyl-N-(2-phenoxyethyl)-3-[5-(2-phenylethyl)-1,3,4-oxadiazol-2-yl]propanamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.5890453
• LogD (pH = 7.4): 2.5890453
• Log P: 2.5890453
• Molar Refractivity: 108.249 cm^3
• Polarizability: 41.08759 Å^3
• Polar Surface Area: 68.46 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.94
• LOG S: -4.71
• Polar Surface Area: 68.46 Å^2
• Rotatable Bonds: 10