3-[4-(3-aminopropyl)-1,2,5-oxadiazol-3-yl]-4-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-one;N-[3-[4-[N'-(3-bromo-4-fluorophenyl)-N-hydroxycarbamimidoyl]-1,2,5-oxadiazol-3-yl]propyl]-3-hydroxy-2-oxopropanamide;N-[3-[4-[4-(3-bromo-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]propyl]-3-hydroxy-2-oxopropanamide;ethyl 2-[3-[4-[4-(3-bromo-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]propylamino]-2-oxoacetate;hydroiodide

C61H55Br4F4IN20O20 — CID 157223179

About 3-[4-(3-aminopropyl)-1,2,5-oxadiazol-3-yl]-4-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-one;N-[3-[4-[N'-(3-bromo-4-fluorophenyl)-N-hydroxycarbamimidoyl]-1,2,5-oxadiazol-3-yl]propyl]-3-hydroxy-2-oxopropanamide;N-[3-[4-[4-(3-bromo-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]propyl]-3-hydroxy-2-oxopropanamide;ethyl 2-[3-[4-[4-(3-bromo-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]propylamino]-2-oxoacetate;hydroiodide

3-[4-(3-aminopropyl)-1,2,5-oxadiazol-3-yl]-4-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-one;N-[3-[4-[N'-(3-bromo-4-fluorophenyl)-N-hydroxycarbamimidoyl]-1,2,5-oxadiazol-3-yl]propyl]-3-hydroxy-2-oxopropanamide;N-[3-[4-[4-(3-bromo-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]propyl]-3-hydroxy-2-oxopropanamide;ethyl 2-[3-[4-[4-(3-bromo-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]propylamino]-2-oxoacetate;hydroiodide (PubChem CID 157223179) has the molecular formula C61H55Br4F4IN20O20 and a molecular weight of 1910.74 g/mol. Its IUPAC name is 3-[4-(3-aminopropyl)-1,2,5-oxadiazol-3-yl]-4-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-one;N-[3-[4-[N'-(3-bromo-4-fluorophenyl)-N-hydroxycarbamimidoyl]-1,2,5-oxadiazol-3-yl]propyl]-3-hydroxy-2-oxopropanamide;N-[3-[4-[4-(3-bromo-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]propyl]-3-hydroxy-2-oxopropanamide;ethyl 2-[3-[4-[4-(3-bromo-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]propylamino]-2-oxoacetate;hydroiodide.

Molecular Properties

• Compound Name: 3-[4-(3-aminopropyl)-1,2,5-oxadiazol-3-yl]-4-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-one;N-[3-[4-[N'-(3-bromo-4-fluorophenyl)-N-hydroxycarbamimidoyl]-1,2,5-oxadiazol-3-yl]propyl]-3-hydroxy-2-oxopropanamide;N-[3-[4-[4-(3-bromo-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]propyl]-3-hydroxy-2-oxopropanamide;ethyl 2-[3-[4-[4-(3-bromo-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]propylamino]-2-oxoacetate;hydroiodide
• PubChem CID: 157223179
• Molecular Formula: C61H55Br4F4IN20O20
• Molecular Weight: 1910.74 g/mol
• Exact Mass: 1905.96
• IUPAC Name: 3-[4-(3-aminopropyl)-1,2,5-oxadiazol-3-yl]-4-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-one;N-[3-[4-[N'-(3-bromo-4-fluorophenyl)-N-hydroxycarbamimidoyl]-1,2,5-oxadiazol-3-yl]propyl]-3-hydroxy-2-oxopropanamide;N-[3-[4-[4-(3-bromo-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]propyl]-3-hydroxy-2-oxopropanamide;ethyl 2-[3-[4-[4-(3-bromo-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]propylamino]-2-oxoacetate;hydroiodide
• SMILES: CCOC(=O)C(=O)NCCCc1nonc1-c1noc(=O)n1-c1ccc(F)c(Br)c1.I.NCCCc1nonc1-c1noc(=O)n1-c1ccc(F)c(Br)c1.O=C(CO)C(=O)NCCCc1nonc1-c1noc(=O)n1-c1ccc(F)c(Br)c1.O=C(CO)C(=O)NCCCc1nonc1/C(=N/c1ccc(F)c(Br)c1)NO
• InChI: InChI=1S/C17H15BrFN5O6.C16H13BrFN5O6.C15H15BrFN5O5.C13H11BrFN5O3.HI/c1-2-28-16(26)15(25)20-7-3-4-12-13(22-30-21-12)14-23-29-17(27)24(14)9-5-6-11(19)10(18)8-9;17-9-6-8(3-4-10(9)18)23-14(22-28-16(23)27)13-11(20-29-21-13)2-1-5-19-15(26)12(25)7-24;16-9-6-8(3-4-10(9)17)19-14(20-26)13-11(21-27-22-13)2-1-5-18-15(25)12(24)7-23;14-8-6-7(3-4-9(8)15)20-12(19-22-13(20)21)11-10(2-1-5-16)17-23-18-11;/h5-6,8H,2-4,7H2,1H3,(H,20,25);3-4,6,24H,1-2,5,7H2,(H,19,26);3-4,6,23,26H,1-2,5,7H2,(H,18,25)(H,19,20);3-4,6H,1-2,5,16H2;1H
• InChIKey: VOUVXOVXSRLPOM-UHFFFAOYSA-N
• XLogP: 4.70
• TPSA: 558.61 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 36
• Rotatable Bonds: 28
• Heavy Atoms: 110
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1910.74
LogP ≤ 5	4.70
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	36

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': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-aminopropyl)-1,2,5-oxadiazol-3-yl]-4-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-one;N-[3-[4-[N'-(3-bromo-4-fluorophenyl)-N-hydroxycarbamimidoyl]-1,2,5-oxadiazol-3-yl]propyl]-3-hydroxy-2-oxopropanamide;N-[3-[4-[4-(3-bromo-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]propyl]-3-hydroxy-2-oxopropanamide;ethyl 2-[3-[4-[4-(3-bromo-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]propylamino]-2-oxoacetate;hydroiodide?

The IUPAC name of 3-[4-(3-aminopropyl)-1,2,5-oxadiazol-3-yl]-4-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-one;N-[3-[4-[N'-(3-bromo-4-fluorophenyl)-N-hydroxycarbamimidoyl]-1,2,5-oxadiazol-3-yl]propyl]-3-hydroxy-2-oxopropanamide;N-[3-[4-[4-(3-bromo-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]propyl]-3-hydroxy-2-oxopropanamide;ethyl 2-[3-[4-[4-(3-bromo-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]propylamino]-2-oxoacetate;hydroiodide (CID 157223179) is 3-[4-(3-aminopropyl)-1,2,5-oxadiazol-3-yl]-4-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-one;N-[3-[4-[N'-(3-bromo-4-fluorophenyl)-N-hydroxycarbamimidoyl]-1,2,5-oxadiazol-3-yl]propyl]-3-hydroxy-2-oxopropanamide;N-[3-[4-[4-(3-bromo-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]propyl]-3-hydroxy-2-oxopropanamide;ethyl 2-[3-[4-[4-(3-bromo-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]propylamino]-2-oxoacetate;hydroiodide.

What is the SMILES notation for 3-[4-(3-aminopropyl)-1,2,5-oxadiazol-3-yl]-4-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-one;N-[3-[4-[N'-(3-bromo-4-fluorophenyl)-N-hydroxycarbamimidoyl]-1,2,5-oxadiazol-3-yl]propyl]-3-hydroxy-2-oxopropanamide;N-[3-[4-[4-(3-bromo-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]propyl]-3-hydroxy-2-oxopropanamide;ethyl 2-[3-[4-[4-(3-bromo-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]propylamino]-2-oxoacetate;hydroiodide?

The canonical SMILES for 3-[4-(3-aminopropyl)-1,2,5-oxadiazol-3-yl]-4-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-one;N-[3-[4-[N'-(3-bromo-4-fluorophenyl)-N-hydroxycarbamimidoyl]-1,2,5-oxadiazol-3-yl]propyl]-3-hydroxy-2-oxopropanamide;N-[3-[4-[4-(3-bromo-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]propyl]-3-hydroxy-2-oxopropanamide;ethyl 2-[3-[4-[4-(3-bromo-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]propylamino]-2-oxoacetate;hydroiodide is CCOC(=O)C(=O)NCCCc1nonc1-c1noc(=O)n1-c1ccc(F)c(Br)c1.I.NCCCc1nonc1-c1noc(=O)n1-c1ccc(F)c(Br)c1.O=C(CO)C(=O)NCCCc1nonc1-c1noc(=O)n1-c1ccc(F)c(Br)c1.O=C(CO)C(=O)NCCCc1nonc1/C(=N/c1ccc(F)c(Br)c1)NO.

What is the InChIKey of 3-[4-(3-aminopropyl)-1,2,5-oxadiazol-3-yl]-4-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-one;N-[3-[4-[N'-(3-bromo-4-fluorophenyl)-N-hydroxycarbamimidoyl]-1,2,5-oxadiazol-3-yl]propyl]-3-hydroxy-2-oxopropanamide;N-[3-[4-[4-(3-bromo-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]propyl]-3-hydroxy-2-oxopropanamide;ethyl 2-[3-[4-[4-(3-bromo-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]propylamino]-2-oxoacetate;hydroiodide?

The InChIKey is VOUVXOVXSRLPOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrFN5O6.C16H13BrFN5O6.C15H15BrFN5O5.C13H11BrFN5O3.HI/c1-2-28-16(26)15(25)20-7-3-4-12-13(22-30-21-12)14-23-29-17(27)24(14)9-5-6-11(19)10(18)8-9;17-9-6-8(3-4-10(9)18)23-14(22-28-16(23)27)13-11(20-29-21-13)2-1-5-19-15(26)12(25)7-24;16-9-6-8(3-4-10(9)17)19-14(20-26)13-11(21-27-22-13)2-1-5-18-15(25)12(24)7-23;14-8-6-7(3-4-9(8)15)20-12(19-22-13(20)21)11-10(2-1-5-16)17-23-18-11;/h5-6,8H,2-4,7H2,1H3,(H,20,25);3-4,6,24H,1-2,5,7H2,(H,19,26);3-4,6,23,26H,1-2,5,7H2,(H,18,25)(H,19,20);3-4,6H,1-2,5,16H2;1H.

What are the key properties of 3-[4-(3-aminopropyl)-1,2,5-oxadiazol-3-yl]-4-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-one;N-[3-[4-[N'-(3-bromo-4-fluorophenyl)-N-hydroxycarbamimidoyl]-1,2,5-oxadiazol-3-yl]propyl]-3-hydroxy-2-oxopropanamide;N-[3-[4-[4-(3-bromo-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]propyl]-3-hydroxy-2-oxopropanamide;ethyl 2-[3-[4-[4-(3-bromo-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]propylamino]-2-oxoacetate;hydroiodide?

3-[4-(3-aminopropyl)-1,2,5-oxadiazol-3-yl]-4-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-one;N-[3-[4-[N'-(3-bromo-4-fluorophenyl)-N-hydroxycarbamimidoyl]-1,2,5-oxadiazol-3-yl]propyl]-3-hydroxy-2-oxopropanamide;N-[3-[4-[4-(3-bromo-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]propyl]-3-hydroxy-2-oxopropanamide;ethyl 2-[3-[4-[4-(3-bromo-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]propylamino]-2-oxoacetate;hydroiodide has a molecular weight of 1910.74 g/mol, XLogP of 4.70, 28 rotatable bonds, 8 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-(3-aminopropyl)-1,2,5-oxadiazol-3-yl]-4-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-one;N-[3-[4-[N'-(3-bromo-4-fluorophenyl)-N-hydroxycarbamimidoyl]-1,2,5-oxadiazol-3-yl]propyl]-3-hydroxy-2-oxopropanamide;N-[3-[4-[4-(3-bromo-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]propyl]-3-hydroxy-2-oxopropanamide;ethyl 2-[3-[4-[4-(3-bromo-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]propylamino]-2-oxoacetate;hydroiodide is sourced from PubChem (CID 157223179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).