N-[1-(4-chlorophenyl)ethyl]-3-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]propanamide

• ChemBase ID: 400026
• Molecular Formular: C19H20ClN3O3
• Molecular Mass: 373.8334
• Monoisotopic Mass: 373.1193192
• SMILES: c1(c2nnc(o2)CCC(=O)NC(c2ccc(cc2)Cl)C)c(oc(c1)C)C
• Canonical SMILES: O=C(NC(c1ccc(cc1)Cl)C)CCc1nnc(o1)c1cc(oc1C)C
• InChI: InChI=1S/C19H20ClN3O3/c1-11-10-16(13(3)25-11)19-23-22-18(26-19)9-8-17(24)21-12(2)14-4-6-15(20)7-5-14/h4-7,10,12H,8-9H2,1-3H3,(H,21,24)
• InChIKey: LGBVPKZMSNMGNG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(4-chlorophenyl)ethyl]-3-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]propanamide
• IUPAC Traditional name: N-[1-(4-chlorophenyl)ethyl]-3-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]propanamide
• Synonyms: N-[1-(4-chlorophenyl)ethyl]-3-[5-(2,5-dimethyl-3-furyl)-1,3,4-oxadiazol-2-yl]propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.168315
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.6285777
• LogD (pH = 7.4): 2.6285777
• Log P: 2.6285777
• Molar Refractivity: 110.7871 cm^3
• Polarizability: 38.027348 Å^3
• Polar Surface Area: 81.16 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 2.11
• LOG S: -6.0
• Polar Surface Area: 81.16 Å^2
• Rotatable Bonds: 6