N'-(3-bromo-4-fluorophenyl)-N-hydroxy-4-[2-(2-oxo-1,3-oxazolidin-3-yl)ethylamino]-1,2,5-oxadiazole-3-carboximidamide

C14H14BrFN6O4 — CID 155516616

About N'-(3-bromo-4-fluorophenyl)-N-hydroxy-4-[2-(2-oxo-1,3-oxazolidin-3-yl)ethylamino]-1,2,5-oxadiazole-3-carboximidamide

N'-(3-bromo-4-fluorophenyl)-N-hydroxy-4-[2-(2-oxo-1,3-oxazolidin-3-yl)ethylamino]-1,2,5-oxadiazole-3-carboximidamide (PubChem CID 155516616) has the molecular formula C14H14BrFN6O4 and a molecular weight of 429.21 g/mol. Its IUPAC name is N'-(3-bromo-4-fluorophenyl)-N-hydroxy-4-[2-(2-oxo-1,3-oxazolidin-3-yl)ethylamino]-1,2,5-oxadiazole-3-carboximidamide.

Molecular Properties

• Compound Name: N'-(3-bromo-4-fluorophenyl)-N-hydroxy-4-[2-(2-oxo-1,3-oxazolidin-3-yl)ethylamino]-1,2,5-oxadiazole-3-carboximidamide
• PubChem CID: 155516616
• Molecular Formula: C14H14BrFN6O4
• Molecular Weight: 429.21 g/mol
• Exact Mass: 428.02
• IUPAC Name: N'-(3-bromo-4-fluorophenyl)-N-hydroxy-4-[2-(2-oxo-1,3-oxazolidin-3-yl)ethylamino]-1,2,5-oxadiazole-3-carboximidamide
• SMILES: O=C1OCCN1CCNc1nonc1/C(=N/c1ccc(F)c(Br)c1)NO
• InChI: InChI=1S/C14H14BrFN6O4/c15-9-7-8(1-2-10(9)16)18-13(19-24)11-12(21-26-20-11)17-3-4-22-5-6-25-14(22)23/h1-2,7,24H,3-6H2,(H,17,21)(H,18,19)
• InChIKey: OMUXDNXUEANBHT-UHFFFAOYSA-N
• XLogP: 1.89
• TPSA: 125.11 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	429.21
LogP ≤ 5	1.89
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'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 N'-(3-bromo-4-fluorophenyl)-N-hydroxy-4-[2-(2-oxo-1,3-oxazolidin-3-yl)ethylamino]-1,2,5-oxadiazole-3-carboximidamide?

The IUPAC name of N'-(3-bromo-4-fluorophenyl)-N-hydroxy-4-[2-(2-oxo-1,3-oxazolidin-3-yl)ethylamino]-1,2,5-oxadiazole-3-carboximidamide (CID 155516616) is N'-(3-bromo-4-fluorophenyl)-N-hydroxy-4-[2-(2-oxo-1,3-oxazolidin-3-yl)ethylamino]-1,2,5-oxadiazole-3-carboximidamide.

What is the SMILES notation for N'-(3-bromo-4-fluorophenyl)-N-hydroxy-4-[2-(2-oxo-1,3-oxazolidin-3-yl)ethylamino]-1,2,5-oxadiazole-3-carboximidamide?

The canonical SMILES for N'-(3-bromo-4-fluorophenyl)-N-hydroxy-4-[2-(2-oxo-1,3-oxazolidin-3-yl)ethylamino]-1,2,5-oxadiazole-3-carboximidamide is O=C1OCCN1CCNc1nonc1/C(=N/c1ccc(F)c(Br)c1)NO.

What is the InChIKey of N'-(3-bromo-4-fluorophenyl)-N-hydroxy-4-[2-(2-oxo-1,3-oxazolidin-3-yl)ethylamino]-1,2,5-oxadiazole-3-carboximidamide?

The InChIKey is OMUXDNXUEANBHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrFN6O4/c15-9-7-8(1-2-10(9)16)18-13(19-24)11-12(21-26-20-11)17-3-4-22-5-6-25-14(22)23/h1-2,7,24H,3-6H2,(H,17,21)(H,18,19).

What are the key properties of N'-(3-bromo-4-fluorophenyl)-N-hydroxy-4-[2-(2-oxo-1,3-oxazolidin-3-yl)ethylamino]-1,2,5-oxadiazole-3-carboximidamide?

N'-(3-bromo-4-fluorophenyl)-N-hydroxy-4-[2-(2-oxo-1,3-oxazolidin-3-yl)ethylamino]-1,2,5-oxadiazole-3-carboximidamide has a molecular weight of 429.21 g/mol, XLogP of 1.89, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N'-(3-bromo-4-fluorophenyl)-N-hydroxy-4-[2-(2-oxo-1,3-oxazolidin-3-yl)ethylamino]-1,2,5-oxadiazole-3-carboximidamide is sourced from PubChem (CID 155516616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).