3-(2-oxoimidazolidin-1-yl)-N-{[5-(thiophen-2-yl)-1,2,4-oxadiazol-3-yl]methyl}benzamide

• ChemBase ID: 584744
• Molecular Formular: C17H15N5O3S
• Molecular Mass: 369.3977
• Monoisotopic Mass: 369.08956037
• SMILES: n1c(onc1CNC(=O)c1cc(N2C(=O)NCC2)ccc1)c1sccc1
• Canonical SMILES: O=C1NCCN1c1cccc(c1)C(=O)NCc1noc(n1)c1cccs1
• InChI: InChI=1S/C17H15N5O3S/c23-15(11-3-1-4-12(9-11)22-7-6-18-17(22)24)19-10-14-20-16(25-21-14)13-5-2-8-26-13/h1-5,8-9H,6-7,10H2,(H,18,24)(H,19,23)
• InChIKey: PKUGONWBPGARLR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2-oxoimidazolidin-1-yl)-N-{[5-(thiophen-2-yl)-1,2,4-oxadiazol-3-yl]methyl}benzamide
• IUPAC Traditional name: 3-(2-oxoimidazolidin-1-yl)-N-{[5-(thiophen-2-yl)-1,2,4-oxadiazol-3-yl]methyl}benzamide
• Synonyms: 3-(2-oxoimidazolidin-1-yl)-N-{[5-(2-thienyl)-1,2,4-oxadiazol-3-yl]methyl}benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.185862
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.6564552
• LogD (pH = 7.4): 1.6564552
• Log P: 1.6564552
• Molar Refractivity: 106.3473 cm^3
• Polarizability: 35.880924 Å^3
• Polar Surface Area: 100.36 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 0.72
• LOG S: -2.51
• Polar Surface Area: 100.36 Å^2
• Rotatable Bonds: 5