5-(2-{4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl}-2-oxoethyl)imidazolidine-2,4-dione

• ChemBase ID: 748879
• Molecular Formular: C14H19N5O4
• Molecular Mass: 321.33176
• Monoisotopic Mass: 321.14370411
• SMILES: N1C(=O)NC(C1=O)CC(=O)N1CCC(Cc2nc(on2)C)CC1
• Canonical SMILES: O=C1NC(=O)C(N1)CC(=O)N1CCC(CC1)Cc1noc(n1)C
• InChI: InChI=1S/C14H19N5O4/c1-8-15-11(18-23-8)6-9-2-4-19(5-3-9)12(20)7-10-13(21)17-14(22)16-10/h9-10H,2-7H2,1H3,(H2,16,17,21,22)
• InChIKey: NPTMQWIBGZVTFF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(2-{4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl}-2-oxoethyl)imidazolidine-2,4-dione
• IUPAC Traditional name: 5-(2-{4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl}-2-oxoethyl)imidazolidine-2,4-dione
• Synonyms: 5-(2-{4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl}-2-oxoethyl)imidazolidine-2,4-dione

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.626118
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -0.7697113
• LogD (pH = 7.4): -0.77222914
• Log P: -0.7696787
• Molar Refractivity: 79.2435 cm^3
• Polarizability: 29.765799 Å^3
• Polar Surface Area: 117.43 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 2
• Log P: -1.49
• LOG S: -1.58
• Polar Surface Area: 117.43 Å^2
• Rotatable Bonds: 4