5-(4-bromophenyl)-N-hydroxy-1,2,4-oxadiazole-3-carboxamide

C9H6BrN3O3 — CID 127025940

IUPAC5-(4-bromophenyl)-N-hydroxy-1,2,4-oxadiazole-3-carboxamide
SMILESO=C(NO)c1noc(-c2ccc(Br)cc2)n1
InChIInChI=1S/C9H6BrN3O3/c10-6-3-1-5(2-4-6)9-11-7(13-16-9)8(14)12-15/h1-4,15H,(H,12,14)
InChIKeyLONJOCSUEOBGAW-UHFFFAOYSA-N
MW284.07 g/mol
LogP1.62
Rot. Bonds2

About 5-(4-bromophenyl)-N-hydroxy-1,2,4-oxadiazole-3-carboxamide

5-(4-bromophenyl)-N-hydroxy-1,2,4-oxadiazole-3-carboxamide (PubChem CID 127025940) has the molecular formula C9H6BrN3O3 and a molecular weight of 284.07 g/mol. Its IUPAC name is 5-(4-bromophenyl)-N-hydroxy-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name5-(4-bromophenyl)-N-hydroxy-1,2,4-oxadiazole-3-carboxamide
PubChem CID127025940
Molecular FormulaC9H6BrN3O3
Molecular Weight284.07 g/mol
Exact Mass282.96
IUPAC Name5-(4-bromophenyl)-N-hydroxy-1,2,4-oxadiazole-3-carboxamide
SMILESO=C(NO)c1noc(-c2ccc(Br)cc2)n1
InChIInChI=1S/C9H6BrN3O3/c10-6-3-1-5(2-4-6)9-11-7(13-16-9)8(14)12-15/h1-4,15H,(H,12,14)
InChIKeyLONJOCSUEOBGAW-UHFFFAOYSA-N
XLogP1.62
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.07
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-N-hydroxy-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of 5-(4-bromophenyl)-N-hydroxy-1,2,4-oxadiazole-3-carboxamide (CID 127025940) is 5-(4-bromophenyl)-N-hydroxy-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for 5-(4-bromophenyl)-N-hydroxy-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for 5-(4-bromophenyl)-N-hydroxy-1,2,4-oxadiazole-3-carboxamide is O=C(NO)c1noc(-c2ccc(Br)cc2)n1.
What is the InChIKey of 5-(4-bromophenyl)-N-hydroxy-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is LONJOCSUEOBGAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrN3O3/c10-6-3-1-5(2-4-6)9-11-7(13-16-9)8(14)12-15/h1-4,15H,(H,12,14).
What are the key properties of 5-(4-bromophenyl)-N-hydroxy-1,2,4-oxadiazole-3-carboxamide?
5-(4-bromophenyl)-N-hydroxy-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 284.07 g/mol, XLogP of 1.62, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-N-hydroxy-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 127025940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).