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

C10H7BrN2O3 — CID 127027171

IUPAC2-(4-bromophenyl)-N-hydroxy-1,3-oxazole-4-carboxamide
SMILESO=C(NO)c1coc(-c2ccc(Br)cc2)n1
InChIInChI=1S/C10H7BrN2O3/c11-7-3-1-6(2-4-7)10-12-8(5-16-10)9(14)13-15/h1-5,15H,(H,13,14)
InChIKeyKHPRTOQUGAUDCM-UHFFFAOYSA-N
MW283.08 g/mol
LogP2.22
Rot. Bonds2

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

2-(4-bromophenyl)-N-hydroxy-1,3-oxazole-4-carboxamide (PubChem CID 127027171) has the molecular formula C10H7BrN2O3 and a molecular weight of 283.08 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-hydroxy-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-hydroxy-1,3-oxazole-4-carboxamide
PubChem CID127027171
Molecular FormulaC10H7BrN2O3
Molecular Weight283.08 g/mol
Exact Mass281.96
IUPAC Name2-(4-bromophenyl)-N-hydroxy-1,3-oxazole-4-carboxamide
SMILESO=C(NO)c1coc(-c2ccc(Br)cc2)n1
InChIInChI=1S/C10H7BrN2O3/c11-7-3-1-6(2-4-7)10-12-8(5-16-10)9(14)13-15/h1-5,15H,(H,13,14)
InChIKeyKHPRTOQUGAUDCM-UHFFFAOYSA-N
XLogP2.22
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.08
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 2-(4-bromophenyl)-N-hydroxy-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-(4-bromophenyl)-N-hydroxy-1,3-oxazole-4-carboxamide (CID 127027171) is 2-(4-bromophenyl)-N-hydroxy-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-(4-bromophenyl)-N-hydroxy-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-(4-bromophenyl)-N-hydroxy-1,3-oxazole-4-carboxamide is O=C(NO)c1coc(-c2ccc(Br)cc2)n1.
What is the InChIKey of 2-(4-bromophenyl)-N-hydroxy-1,3-oxazole-4-carboxamide?
The InChIKey is KHPRTOQUGAUDCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrN2O3/c11-7-3-1-6(2-4-7)10-12-8(5-16-10)9(14)13-15/h1-5,15H,(H,13,14).
What are the key properties of 2-(4-bromophenyl)-N-hydroxy-1,3-oxazole-4-carboxamide?
2-(4-bromophenyl)-N-hydroxy-1,3-oxazole-4-carboxamide has a molecular weight of 283.08 g/mol, XLogP of 2.22, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-hydroxy-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 127027171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).