2-(2,5-dioxoimidazolidin-1-yl)-N-[3-(6-methyl-1,3-benzoxazol-2-yl)propyl]acetamide

• ChemBase ID: 555730
• Molecular Formular: C16H18N4O4
• Molecular Mass: 330.33852
• Monoisotopic Mass: 330.13280508
• SMILES: N1(C(=O)NCC1=O)CC(=O)NCCCc1nc2c(o1)cc(cc2)C
• Canonical SMILES: O=C(CN1C(=O)CNC1=O)NCCCc1oc2c(n1)ccc(c2)C
• InChI: InChI=1S/C16H18N4O4/c1-10-4-5-11-12(7-10)24-14(19-11)3-2-6-17-13(21)9-20-15(22)8-18-16(20)23/h4-5,7H,2-3,6,8-9H2,1H3,(H,17,21)(H,18,23)
• InChIKey: HMVUBTMHNDTREM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2,5-dioxoimidazolidin-1-yl)-N-[3-(6-methyl-1,3-benzoxazol-2-yl)propyl]acetamide
• IUPAC Traditional name: 2-(2,5-dioxoimidazolidin-1-yl)-N-[3-(6-methyl-1,3-benzoxazol-2-yl)propyl]acetamide
• Synonyms: 2-(2,5-dioxo-1-imidazolidinyl)-N-[3-(6-methyl-1,3-benzoxazol-2-yl)propyl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.579364
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.14847483
• LogD (pH = 7.4): -0.14850157
• Log P: -0.14847314
• Molar Refractivity: 83.8466 cm^3
• Polarizability: 33.266613 Å^3
• Polar Surface Area: 104.54 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 0.18
• LOG S: -3.07
• Polar Surface Area: 104.54 Å^2
• Rotatable Bonds: 6