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

• ChemBase ID: 456089
• Molecular Formular: C18H19N5O4
• Molecular Mass: 369.37456
• Monoisotopic Mass: 369.14370411
• SMILES: C1(=O)NC(=O)CN1c1ccc(C(=O)NCc2nc(on2)C2CCCC2)cc1
• Canonical SMILES: O=C1NC(=O)N(C1)c1ccc(cc1)C(=O)NCc1noc(n1)C1CCCC1
• InChI: InChI=1S/C18H19N5O4/c24-15-10-23(18(26)21-15)13-7-5-11(6-8-13)16(25)19-9-14-20-17(27-22-14)12-3-1-2-4-12/h5-8,12H,1-4,9-10H2,(H,19,25)(H,21,24,26)
• InChIKey: QVYQGBWCEDEVQA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.064494
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 1.3920388
• LogD (pH = 7.4): 1.3829341
• Log P: 1.3921562
• Molar Refractivity: 95.4768 cm^3
• Polarizability: 35.441628 Å^3
• Polar Surface Area: 117.43 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 2
• Log P: 0.43
• LOG S: -2.26
• Polar Surface Area: 117.43 Å^2
• Rotatable Bonds: 5