N'-(3-bromo-4-fluorophenyl)-4-(butoxyamino)-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide;4-(3-bromo-4-fluorophenyl)-3-[4-(butoxyamino)-1,2,5-oxadiazol-3-yl]-1,2,4-oxadiazol-5-one;4-(3-bromo-4-fluorophenyl)-3-(4-nitro-1,2,5-oxadiazol-3-yl)-1,2,4-oxadiazol-5-one;O-butylhydroxylamine;iodide

C41H42Br3F3IN16O13- — CID 160708963

About N'-(3-bromo-4-fluorophenyl)-4-(butoxyamino)-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide;4-(3-bromo-4-fluorophenyl)-3-[4-(butoxyamino)-1,2,5-oxadiazol-3-yl]-1,2,4-oxadiazol-5-one;4-(3-bromo-4-fluorophenyl)-3-(4-nitro-1,2,5-oxadiazol-3-yl)-1,2,4-oxadiazol-5-one;O-butylhydroxylamine;iodide

N'-(3-bromo-4-fluorophenyl)-4-(butoxyamino)-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide;4-(3-bromo-4-fluorophenyl)-3-[4-(butoxyamino)-1,2,5-oxadiazol-3-yl]-1,2,4-oxadiazol-5-one;4-(3-bromo-4-fluorophenyl)-3-(4-nitro-1,2,5-oxadiazol-3-yl)-1,2,4-oxadiazol-5-one;O-butylhydroxylamine;iodide (PubChem CID 160708963) has the molecular formula C41H42Br3F3IN16O13- and a molecular weight of 1390.50 g/mol. Its IUPAC name is N'-(3-bromo-4-fluorophenyl)-4-(butoxyamino)-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide;4-(3-bromo-4-fluorophenyl)-3-[4-(butoxyamino)-1,2,5-oxadiazol-3-yl]-1,2,4-oxadiazol-5-one;4-(3-bromo-4-fluorophenyl)-3-(4-nitro-1,2,5-oxadiazol-3-yl)-1,2,4-oxadiazol-5-one;O-butylhydroxylamine;iodide.

Molecular Properties

• Compound Name: N'-(3-bromo-4-fluorophenyl)-4-(butoxyamino)-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide;4-(3-bromo-4-fluorophenyl)-3-[4-(butoxyamino)-1,2,5-oxadiazol-3-yl]-1,2,4-oxadiazol-5-one;4-(3-bromo-4-fluorophenyl)-3-(4-nitro-1,2,5-oxadiazol-3-yl)-1,2,4-oxadiazol-5-one;O-butylhydroxylamine;iodide
• PubChem CID: 160708963
• Molecular Formula: C41H42Br3F3IN16O13-
• Molecular Weight: 1390.50 g/mol
• Exact Mass: 1386.97
• IUPAC Name: N'-(3-bromo-4-fluorophenyl)-4-(butoxyamino)-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide;4-(3-bromo-4-fluorophenyl)-3-[4-(butoxyamino)-1,2,5-oxadiazol-3-yl]-1,2,4-oxadiazol-5-one;4-(3-bromo-4-fluorophenyl)-3-(4-nitro-1,2,5-oxadiazol-3-yl)-1,2,4-oxadiazol-5-one;O-butylhydroxylamine;iodide
• SMILES: CCCCON.CCCCONc1nonc1-c1noc(=O)n1-c1ccc(F)c(Br)c1.CCCCONc1nonc1/C(=N/c1ccc(F)c(Br)c1)NO.O=c1onc(-c2nonc2[N+](=O)[O-])n1-c1ccc(F)c(Br)c1.[I-]
• InChI: InChI=1S/C14H13BrFN5O4.C13H15BrFN5O3.C10H3BrFN5O5.C4H11NO.HI/c1-2-3-6-23-18-12-11(17-25-19-12)13-20-24-14(22)21(13)8-4-5-10(16)9(15)7-8;1-2-3-6-22-19-13-11(18-23-20-13)12(17-21)16-8-4-5-10(15)9(14)7-8;11-5-3-4(1-2-6(5)12)16-8(14-21-10(16)18)7-9(17(19)20)15-22-13-7;1-2-3-4-6-5;/h4-5,7H,2-3,6H2,1H3,(H,18,19);4-5,7,21H,2-3,6H2,1H3,(H,16,17)(H,19,20);1-3H;2-5H2,1H3;1H/p-1
• InChIKey: PGUSHMJBGUHEEX-UHFFFAOYSA-M
• XLogP: 5.46
• TPSA: 378.35 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 27
• Rotatable Bonds: 20
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1390.50
LogP ≤ 5	5.46
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N'-(3-bromo-4-fluorophenyl)-4-(butoxyamino)-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide;4-(3-bromo-4-fluorophenyl)-3-[4-(butoxyamino)-1,2,5-oxadiazol-3-yl]-1,2,4-oxadiazol-5-one;4-(3-bromo-4-fluorophenyl)-3-(4-nitro-1,2,5-oxadiazol-3-yl)-1,2,4-oxadiazol-5-one;O-butylhydroxylamine;iodide?

The IUPAC name of N'-(3-bromo-4-fluorophenyl)-4-(butoxyamino)-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide;4-(3-bromo-4-fluorophenyl)-3-[4-(butoxyamino)-1,2,5-oxadiazol-3-yl]-1,2,4-oxadiazol-5-one;4-(3-bromo-4-fluorophenyl)-3-(4-nitro-1,2,5-oxadiazol-3-yl)-1,2,4-oxadiazol-5-one;O-butylhydroxylamine;iodide (CID 160708963) is N'-(3-bromo-4-fluorophenyl)-4-(butoxyamino)-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide;4-(3-bromo-4-fluorophenyl)-3-[4-(butoxyamino)-1,2,5-oxadiazol-3-yl]-1,2,4-oxadiazol-5-one;4-(3-bromo-4-fluorophenyl)-3-(4-nitro-1,2,5-oxadiazol-3-yl)-1,2,4-oxadiazol-5-one;O-butylhydroxylamine;iodide.

What is the SMILES notation for N'-(3-bromo-4-fluorophenyl)-4-(butoxyamino)-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide;4-(3-bromo-4-fluorophenyl)-3-[4-(butoxyamino)-1,2,5-oxadiazol-3-yl]-1,2,4-oxadiazol-5-one;4-(3-bromo-4-fluorophenyl)-3-(4-nitro-1,2,5-oxadiazol-3-yl)-1,2,4-oxadiazol-5-one;O-butylhydroxylamine;iodide?

The canonical SMILES for N'-(3-bromo-4-fluorophenyl)-4-(butoxyamino)-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide;4-(3-bromo-4-fluorophenyl)-3-[4-(butoxyamino)-1,2,5-oxadiazol-3-yl]-1,2,4-oxadiazol-5-one;4-(3-bromo-4-fluorophenyl)-3-(4-nitro-1,2,5-oxadiazol-3-yl)-1,2,4-oxadiazol-5-one;O-butylhydroxylamine;iodide is CCCCON.CCCCONc1nonc1-c1noc(=O)n1-c1ccc(F)c(Br)c1.CCCCONc1nonc1/C(=N/c1ccc(F)c(Br)c1)NO.O=c1onc(-c2nonc2[N+](=O)[O-])n1-c1ccc(F)c(Br)c1.[I-].

What is the InChIKey of N'-(3-bromo-4-fluorophenyl)-4-(butoxyamino)-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide;4-(3-bromo-4-fluorophenyl)-3-[4-(butoxyamino)-1,2,5-oxadiazol-3-yl]-1,2,4-oxadiazol-5-one;4-(3-bromo-4-fluorophenyl)-3-(4-nitro-1,2,5-oxadiazol-3-yl)-1,2,4-oxadiazol-5-one;O-butylhydroxylamine;iodide?

The InChIKey is PGUSHMJBGUHEEX-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H13BrFN5O4.C13H15BrFN5O3.C10H3BrFN5O5.C4H11NO.HI/c1-2-3-6-23-18-12-11(17-25-19-12)13-20-24-14(22)21(13)8-4-5-10(16)9(15)7-8;1-2-3-6-22-19-13-11(18-23-20-13)12(17-21)16-8-4-5-10(15)9(14)7-8;11-5-3-4(1-2-6(5)12)16-8(14-21-10(16)18)7-9(17(19)20)15-22-13-7;1-2-3-4-6-5;/h4-5,7H,2-3,6H2,1H3,(H,18,19);4-5,7,21H,2-3,6H2,1H3,(H,16,17)(H,19,20);1-3H;2-5H2,1H3;1H/p-1.

What are the key properties of N'-(3-bromo-4-fluorophenyl)-4-(butoxyamino)-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide;4-(3-bromo-4-fluorophenyl)-3-[4-(butoxyamino)-1,2,5-oxadiazol-3-yl]-1,2,4-oxadiazol-5-one;4-(3-bromo-4-fluorophenyl)-3-(4-nitro-1,2,5-oxadiazol-3-yl)-1,2,4-oxadiazol-5-one;O-butylhydroxylamine;iodide?

N'-(3-bromo-4-fluorophenyl)-4-(butoxyamino)-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide;4-(3-bromo-4-fluorophenyl)-3-[4-(butoxyamino)-1,2,5-oxadiazol-3-yl]-1,2,4-oxadiazol-5-one;4-(3-bromo-4-fluorophenyl)-3-(4-nitro-1,2,5-oxadiazol-3-yl)-1,2,4-oxadiazol-5-one;O-butylhydroxylamine;iodide has a molecular weight of 1390.50 g/mol, XLogP of 5.46, 20 rotatable bonds, 5 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for N'-(3-bromo-4-fluorophenyl)-4-(butoxyamino)-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide;4-(3-bromo-4-fluorophenyl)-3-[4-(butoxyamino)-1,2,5-oxadiazol-3-yl]-1,2,4-oxadiazol-5-one;4-(3-bromo-4-fluorophenyl)-3-(4-nitro-1,2,5-oxadiazol-3-yl)-1,2,4-oxadiazol-5-one;O-butylhydroxylamine;iodide is sourced from PubChem (CID 160708963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).