N-{2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl}-4-methyl-3-(2-oxoimidazolidin-1-yl)benzamide

• ChemBase ID: 636187
• Molecular Formular: C17H21N5O4
• Molecular Mass: 359.37974
• Monoisotopic Mass: 359.15935418
• SMILES: N1(C(=O)NCC1)c1cc(C(=O)NCCc2nc(no2)COC)ccc1C
• Canonical SMILES: COCc1noc(n1)CCNC(=O)c1ccc(c(c1)N1CCNC1=O)C
• InChI: InChI=1S/C17H21N5O4/c1-11-3-4-12(9-13(11)22-8-7-19-17(22)24)16(23)18-6-5-15-20-14(10-25-2)21-26-15/h3-4,9H,5-8,10H2,1-2H3,(H,18,23)(H,19,24)
• InChIKey: MAUDBFLZJXBXIC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl}-4-methyl-3-(2-oxoimidazolidin-1-yl)benzamide
• IUPAC Traditional name: N-{2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl}-4-methyl-3-(2-oxoimidazolidin-1-yl)benzamide
• Synonyms: N-{2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl}-4-methyl-3-(2-oxo-1-imidazolidinyl)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.822737
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 0.6345021
• LogD (pH = 7.4): 0.6345023
• Log P: 0.6345023
• Molar Refractivity: 94.9905 cm^3
• Polarizability: 34.932762 Å^3
• Polar Surface Area: 109.59 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 2
• Log P: -0.61
• LOG S: -2.61
• Polar Surface Area: 109.59 Å^2
• Rotatable Bonds: 7