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

• ChemBase ID: 662398
• Molecular Formular: C18H25N3O3
• Molecular Mass: 331.4094
• Monoisotopic Mass: 331.18959168
• SMILES: n1nc(oc1CCc1ccccc1)CCC(=O)NC(COC)CC
• Canonical SMILES: COCC(NC(=O)CCc1nnc(o1)CCc1ccccc1)CC
• InChI: InChI=1S/C18H25N3O3/c1-3-15(13-23-2)19-16(22)10-12-18-21-20-17(24-18)11-9-14-7-5-4-6-8-14/h4-8,15H,3,9-13H2,1-2H3,(H,19,22)
• InChIKey: PEEQSFQYSVSEEH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.901387
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.6134415
• LogD (pH = 7.4): 1.6134416
• Log P: 1.6134416
• Molar Refractivity: 92.7864 cm^3
• Polarizability: 35.205433 Å^3
• Polar Surface Area: 77.25 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 0.44
• LOG S: -3.94
• Polar Surface Area: 77.25 Å^2
• Rotatable Bonds: 8