N-methyl-2-(4-{4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]butanoyl}morpholin-3-yl)acetamide

• ChemBase ID: 795479
• Molecular Formular: C20H26N4O4
• Molecular Mass: 386.44484
• Monoisotopic Mass: 386.19540533
• SMILES: n1c(noc1CCCC(=O)N1C(CC(=O)NC)COCC1)c1cc(ccc1)C
• Canonical SMILES: CNC(=O)CC1COCCN1C(=O)CCCc1onc(n1)c1cccc(c1)C
• InChI: InChI=1S/C20H26N4O4/c1-14-5-3-6-15(11-14)20-22-18(28-23-20)7-4-8-19(26)24-9-10-27-13-16(24)12-17(25)21-2/h3,5-6,11,16H,4,7-10,12-13H2,1-2H3,(H,21,25)
• InChIKey: ZUGDCTQCEUIOAJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-2-(4-{4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]butanoyl}morpholin-3-yl)acetamide
• IUPAC Traditional name: N-methyl-2-(4-{4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]butanoyl}morpholin-3-yl)acetamide
• Synonyms: N-methyl-2-(4-{4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]butanoyl}-3-morpholinyl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.292644
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 1.6782752
• LogD (pH = 7.4): 1.6782753
• Log P: 1.6782753
• Molar Refractivity: 114.9246 cm^3
• Polarizability: 40.1499 Å^3
• Polar Surface Area: 97.56 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 1.65
• LOG S: -3.43
• Polar Surface Area: 97.56 Å^2
• Rotatable Bonds: 7