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

• ChemBase ID: 838702
• Molecular Formular: C15H21N5O4
• Molecular Mass: 335.35834
• Monoisotopic Mass: 335.15935418
• SMILES: N1C(=O)NC(C1=O)CCC(=O)NCCc1nc(on1)C1CCCC1
• Canonical SMILES: O=C(CCC1NC(=O)NC1=O)NCCc1noc(n1)C1CCCC1
• InChI: InChI=1S/C15H21N5O4/c21-12(6-5-10-13(22)19-15(23)17-10)16-8-7-11-18-14(24-20-11)9-3-1-2-4-9/h9-10H,1-8H2,(H,16,21)(H2,17,19,22,23)
• InChIKey: NQLQFIJHNCZDEI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.623416
• H Acceptors: 5
• H Donor: 3
• LogD (pH = 5.5): 0.29012707
• LogD (pH = 7.4): 0.28759325
• Log P: 0.29015952
• Molar Refractivity: 83.53 cm^3
• Polarizability: 31.655594 Å^3
• Polar Surface Area: 126.22 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 3
• Log P: -1.05
• LOG S: -2.06
• Polar Surface Area: 126.22 Å^2
• Rotatable Bonds: 7