sodium;3-[4-(2-aminoethylamino)-1,2,5-oxadiazol-3-yl]-4-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-one;N'-[2-[[4-[N'-(3-bromo-4-fluorophenyl)-N-hydroxycarbamimidoyl]-1,2,5-oxadiazol-3-yl]amino]ethyl]oxamide;5-[[4-[4-(3-bromo-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]amino]-2-oxopentanamide;oxamic acid;hydroxide

C42H39Br3F3N20NaO16 — CID 158351125

About sodium;3-[4-(2-aminoethylamino)-1,2,5-oxadiazol-3-yl]-4-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-one;N'-[2-[[4-[N'-(3-bromo-4-fluorophenyl)-N-hydroxycarbamimidoyl]-1,2,5-oxadiazol-3-yl]amino]ethyl]oxamide;5-[[4-[4-(3-bromo-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]amino]-2-oxopentanamide;oxamic acid;hydroxide

sodium;3-[4-(2-aminoethylamino)-1,2,5-oxadiazol-3-yl]-4-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-one;N'-[2-[[4-[N'-(3-bromo-4-fluorophenyl)-N-hydroxycarbamimidoyl]-1,2,5-oxadiazol-3-yl]amino]ethyl]oxamide;5-[[4-[4-(3-bromo-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]amino]-2-oxopentanamide;oxamic acid;hydroxide (PubChem CID 158351125) has the molecular formula C42H39Br3F3N20NaO16 and a molecular weight of 1399.59 g/mol. Its IUPAC name is sodium;3-[4-(2-aminoethylamino)-1,2,5-oxadiazol-3-yl]-4-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-one;N'-[2-[[4-[N'-(3-bromo-4-fluorophenyl)-N-hydroxycarbamimidoyl]-1,2,5-oxadiazol-3-yl]amino]ethyl]oxamide;5-[[4-[4-(3-bromo-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]amino]-2-oxopentanamide;oxamic acid;hydroxide.

Molecular Properties

• Compound Name: sodium;3-[4-(2-aminoethylamino)-1,2,5-oxadiazol-3-yl]-4-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-one;N'-[2-[[4-[N'-(3-bromo-4-fluorophenyl)-N-hydroxycarbamimidoyl]-1,2,5-oxadiazol-3-yl]amino]ethyl]oxamide;5-[[4-[4-(3-bromo-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]amino]-2-oxopentanamide;oxamic acid;hydroxide
• PubChem CID: 158351125
• Molecular Formula: C42H39Br3F3N20NaO16
• Molecular Weight: 1399.59 g/mol
• Exact Mass: 1396.03
• IUPAC Name: sodium;3-[4-(2-aminoethylamino)-1,2,5-oxadiazol-3-yl]-4-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-one;N'-[2-[[4-[N'-(3-bromo-4-fluorophenyl)-N-hydroxycarbamimidoyl]-1,2,5-oxadiazol-3-yl]amino]ethyl]oxamide;5-[[4-[4-(3-bromo-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]amino]-2-oxopentanamide;oxamic acid;hydroxide
• SMILES: NC(=O)C(=O)CCCNc1nonc1-c1noc(=O)n1-c1ccc(F)c(Br)c1.NC(=O)C(=O)NCCNc1nonc1/C(=N/c1ccc(F)c(Br)c1)NO.NC(=O)C(=O)O.NCCNc1nonc1-c1noc(=O)n1-c1ccc(F)c(Br)c1.[Na+].[OH-]
• InChI: InChI=1S/C15H12BrFN6O5.C13H13BrFN7O4.C12H10BrFN6O3.C2H3NO3.Na.H2O/c16-8-6-7(3-4-9(8)17)23-14(22-27-15(23)26)11-13(21-28-20-11)19-5-1-2-10(24)12(18)25;14-7-5-6(1-2-8(7)15)19-12(20-25)9-11(22-26-21-9)17-3-4-18-13(24)10(16)23;13-7-5-6(1-2-8(7)14)20-11(19-22-12(20)21)9-10(16-4-3-15)18-23-17-9;3-1(4)2(5)6;;/h3-4,6H,1-2,5H2,(H2,18,25)(H,19,21);1-2,5,25H,3-4H2,(H2,16,23)(H,17,22)(H,18,24)(H,19,20);1-2,5H,3-4,15H2,(H,16,18);(H2,3,4)(H,5,6);;1H2/q;;;;+1;/p-1
• InChIKey: GSIIBOKRSARIGN-UHFFFAOYSA-M
• XLogP: -2.40
• TPSA: 562.29 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 30
• Rotatable Bonds: 19
• Heavy Atoms: 85
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1399.59
LogP ≤ 5	-2.40
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of sodium;3-[4-(2-aminoethylamino)-1,2,5-oxadiazol-3-yl]-4-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-one;N'-[2-[[4-[N'-(3-bromo-4-fluorophenyl)-N-hydroxycarbamimidoyl]-1,2,5-oxadiazol-3-yl]amino]ethyl]oxamide;5-[[4-[4-(3-bromo-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]amino]-2-oxopentanamide;oxamic acid;hydroxide?

The IUPAC name of sodium;3-[4-(2-aminoethylamino)-1,2,5-oxadiazol-3-yl]-4-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-one;N'-[2-[[4-[N'-(3-bromo-4-fluorophenyl)-N-hydroxycarbamimidoyl]-1,2,5-oxadiazol-3-yl]amino]ethyl]oxamide;5-[[4-[4-(3-bromo-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]amino]-2-oxopentanamide;oxamic acid;hydroxide (CID 158351125) is sodium;3-[4-(2-aminoethylamino)-1,2,5-oxadiazol-3-yl]-4-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-one;N'-[2-[[4-[N'-(3-bromo-4-fluorophenyl)-N-hydroxycarbamimidoyl]-1,2,5-oxadiazol-3-yl]amino]ethyl]oxamide;5-[[4-[4-(3-bromo-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]amino]-2-oxopentanamide;oxamic acid;hydroxide.

What is the SMILES notation for sodium;3-[4-(2-aminoethylamino)-1,2,5-oxadiazol-3-yl]-4-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-one;N'-[2-[[4-[N'-(3-bromo-4-fluorophenyl)-N-hydroxycarbamimidoyl]-1,2,5-oxadiazol-3-yl]amino]ethyl]oxamide;5-[[4-[4-(3-bromo-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]amino]-2-oxopentanamide;oxamic acid;hydroxide?

The canonical SMILES for sodium;3-[4-(2-aminoethylamino)-1,2,5-oxadiazol-3-yl]-4-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-one;N'-[2-[[4-[N'-(3-bromo-4-fluorophenyl)-N-hydroxycarbamimidoyl]-1,2,5-oxadiazol-3-yl]amino]ethyl]oxamide;5-[[4-[4-(3-bromo-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]amino]-2-oxopentanamide;oxamic acid;hydroxide is NC(=O)C(=O)CCCNc1nonc1-c1noc(=O)n1-c1ccc(F)c(Br)c1.NC(=O)C(=O)NCCNc1nonc1/C(=N/c1ccc(F)c(Br)c1)NO.NC(=O)C(=O)O.NCCNc1nonc1-c1noc(=O)n1-c1ccc(F)c(Br)c1.[Na+].[OH-].

What is the InChIKey of sodium;3-[4-(2-aminoethylamino)-1,2,5-oxadiazol-3-yl]-4-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-one;N'-[2-[[4-[N'-(3-bromo-4-fluorophenyl)-N-hydroxycarbamimidoyl]-1,2,5-oxadiazol-3-yl]amino]ethyl]oxamide;5-[[4-[4-(3-bromo-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]amino]-2-oxopentanamide;oxamic acid;hydroxide?

The InChIKey is GSIIBOKRSARIGN-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H12BrFN6O5.C13H13BrFN7O4.C12H10BrFN6O3.C2H3NO3.Na.H2O/c16-8-6-7(3-4-9(8)17)23-14(22-27-15(23)26)11-13(21-28-20-11)19-5-1-2-10(24)12(18)25;14-7-5-6(1-2-8(7)15)19-12(20-25)9-11(22-26-21-9)17-3-4-18-13(24)10(16)23;13-7-5-6(1-2-8(7)14)20-11(19-22-12(20)21)9-10(16-4-3-15)18-23-17-9;3-1(4)2(5)6;;/h3-4,6H,1-2,5H2,(H2,18,25)(H,19,21);1-2,5,25H,3-4H2,(H2,16,23)(H,17,22)(H,18,24)(H,19,20);1-2,5H,3-4,15H2,(H,16,18);(H2,3,4)(H,5,6);;1H2/q;;;;+1;/p-1.

What are the key properties of sodium;3-[4-(2-aminoethylamino)-1,2,5-oxadiazol-3-yl]-4-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-one;N'-[2-[[4-[N'-(3-bromo-4-fluorophenyl)-N-hydroxycarbamimidoyl]-1,2,5-oxadiazol-3-yl]amino]ethyl]oxamide;5-[[4-[4-(3-bromo-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]amino]-2-oxopentanamide;oxamic acid;hydroxide?

sodium;3-[4-(2-aminoethylamino)-1,2,5-oxadiazol-3-yl]-4-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-one;N'-[2-[[4-[N'-(3-bromo-4-fluorophenyl)-N-hydroxycarbamimidoyl]-1,2,5-oxadiazol-3-yl]amino]ethyl]oxamide;5-[[4-[4-(3-bromo-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]amino]-2-oxopentanamide;oxamic acid;hydroxide has a molecular weight of 1399.59 g/mol, XLogP of -2.40, 19 rotatable bonds, 11 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;3-[4-(2-aminoethylamino)-1,2,5-oxadiazol-3-yl]-4-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-one;N'-[2-[[4-[N'-(3-bromo-4-fluorophenyl)-N-hydroxycarbamimidoyl]-1,2,5-oxadiazol-3-yl]amino]ethyl]oxamide;5-[[4-[4-(3-bromo-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]amino]-2-oxopentanamide;oxamic acid;hydroxide is sourced from PubChem (CID 158351125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).