N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetamide

• ChemBase ID: 541978
• Molecular Formular: C16H23N5O4
• Molecular Mass: 349.38492
• Monoisotopic Mass: 349.17500424
• SMILES: N1(C(=O)NC(C1=O)(C)C)CC(=O)NCCc1nc(on1)C1CCCC1
• Canonical SMILES: O=C(CN1C(=O)NC(C1=O)(C)C)NCCc1noc(n1)C1CCCC1
• InChI: InChI=1S/C16H23N5O4/c1-16(2)14(23)21(15(24)19-16)9-12(22)17-8-7-11-18-13(25-20-11)10-5-3-4-6-10/h10H,3-9H2,1-2H3,(H,17,22)(H,19,24)
• InChIKey: NGGAGFLXXMXMSY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetamide
• IUPAC Traditional name: N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetamide
• Synonyms: N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.721629
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 0.6793899
• LogD (pH = 7.4): 0.67918724
• Log P: 0.6793925
• Molar Refractivity: 88.4342 cm^3
• Polarizability: 33.476173 Å^3
• Polar Surface Area: 117.43 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 2
• Log P: -0.02
• LOG S: -3.04
• Polar Surface Area: 117.43 Å^2
• Rotatable Bonds: 6