N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-oxo-1-[4-(propan-2-yl)phenyl]pyrrolidine-3-carboxamide

• ChemBase ID: 498981
• Molecular Formular: C19H24N4O3
• Molecular Mass: 356.41886
• Monoisotopic Mass: 356.18484065
• SMILES: N1(C(=O)CC(C(=O)N(Cc2nnc(o2)C)C)C1)c1ccc(cc1)C(C)C
• Canonical SMILES: O=C(N(Cc1nnc(o1)C)C)C1CC(=O)N(C1)c1ccc(cc1)C(C)C
• InChI: InChI=1S/C19H24N4O3/c1-12(2)14-5-7-16(8-6-14)23-10-15(9-18(23)24)19(25)22(4)11-17-21-20-13(3)26-17/h5-8,12,15H,9-11H2,1-4H3
• InChIKey: NFMOYEZUABZNSW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-oxo-1-[4-(propan-2-yl)phenyl]pyrrolidine-3-carboxamide
• IUPAC Traditional name: 1-(4-isopropylphenyl)-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide
• Synonyms: 1-(4-isopropylphenyl)-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-oxo-3-pyrrolidinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 18.2669
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.46823984
• LogD (pH = 7.4): 0.46823987
• Log P: 0.46823987
• Molar Refractivity: 98.1304 cm^3
• Polarizability: 36.841137 Å^3
• Polar Surface Area: 79.54 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.3
• LOG S: -2.91
• Polar Surface Area: 79.54 Å^2
• Rotatable Bonds: 5