2-(2,4-dichlorophenoxy)-N-{2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl}acetamide

• ChemBase ID: 688422
• Molecular Formular: C14H15Cl2N3O4
• Molecular Mass: 360.1926
• Monoisotopic Mass: 359.04396134
• SMILES: n1c(noc1CCNC(=O)COc1c(cc(cc1)Cl)Cl)COC
• Canonical SMILES: COCc1noc(n1)CCNC(=O)COc1ccc(cc1Cl)Cl
• InChI: InChI=1S/C14H15Cl2N3O4/c1-21-7-12-18-14(23-19-12)4-5-17-13(20)8-22-11-3-2-9(15)6-10(11)16/h2-3,6H,4-5,7-8H2,1H3,(H,17,20)
• InChIKey: QSVDDQYSSVXTEL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2,4-dichlorophenoxy)-N-{2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl}acetamide
• IUPAC Traditional name: 2-(2,4-dichlorophenoxy)-N-{2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl}acetamide
• Synonyms: 2-(2,4-dichlorophenoxy)-N-{2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl}acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.027321
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 2.0592194
• LogD (pH = 7.4): 2.0592184
• Log P: 2.0592194
• Molar Refractivity: 85.2672 cm^3
• Polarizability: 32.633335 Å^3
• Polar Surface Area: 86.48 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 1.97
• LOG S: -3.51
• Polar Surface Area: 86.48 Å^2
• Rotatable Bonds: 8