3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[2-(4-methylmorpholin-2-yl)ethyl]benzamide

• ChemBase ID: 510996
• Molecular Formular: C17H22N4O3
• Molecular Mass: 330.38158
• Monoisotopic Mass: 330.16919058
• SMILES: n1c(noc1C)c1cc(C(=O)NCCC2OCCN(C2)C)ccc1
• Canonical SMILES: CN1CCOC(C1)CCNC(=O)c1cccc(c1)c1noc(n1)C
• InChI: InChI=1S/C17H22N4O3/c1-12-19-16(20-24-12)13-4-3-5-14(10-13)17(22)18-7-6-15-11-21(2)8-9-23-15/h3-5,10,15H,6-9,11H2,1-2H3,(H,18,22)
• InChIKey: JFHJFLLADIODDI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[2-(4-methylmorpholin-2-yl)ethyl]benzamide
• IUPAC Traditional name: 3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[2-(4-methylmorpholin-2-yl)ethyl]benzamide
• Synonyms: N-[2-(4-methylmorpholin-2-yl)ethyl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.705262
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -0.48345408
• LogD (pH = 7.4): 1.0030367
• Log P: 1.2122805
• Molar Refractivity: 102.1302 cm^3
• Polarizability: 34.70773 Å^3
• Polar Surface Area: 80.49 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 1.07
• LOG S: -2.52
• Polar Surface Area: 80.49 Å^2
• Rotatable Bonds: 5