N-(5-bromo-4-oxo-1H-pyridin-3-yl)-1,2-oxazole-3-carboxamide

C9H6BrN3O3 — CID 75434530

IUPACN-(5-bromo-4-oxo-1H-pyridin-3-yl)-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1c[nH]cc(Br)c1=O)c1ccon1
InChIInChI=1S/C9H6BrN3O3/c10-5-3-11-4-7(8(5)14)12-9(15)6-1-2-16-13-6/h1-4H,(H,11,14)(H,12,15)
InChIKeyOZUDWJGCOYDCDY-UHFFFAOYSA-N
MW284.07 g/mol
LogP1.38
Rot. Bonds2

About N-(5-bromo-4-oxo-1H-pyridin-3-yl)-1,2-oxazole-3-carboxamide

N-(5-bromo-4-oxo-1H-pyridin-3-yl)-1,2-oxazole-3-carboxamide (PubChem CID 75434530) has the molecular formula C9H6BrN3O3 and a molecular weight of 284.07 g/mol. Its IUPAC name is N-(5-bromo-4-oxo-1H-pyridin-3-yl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-4-oxo-1H-pyridin-3-yl)-1,2-oxazole-3-carboxamide
PubChem CID75434530
Molecular FormulaC9H6BrN3O3
Molecular Weight284.07 g/mol
Exact Mass282.96
IUPAC NameN-(5-bromo-4-oxo-1H-pyridin-3-yl)-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1c[nH]cc(Br)c1=O)c1ccon1
InChIInChI=1S/C9H6BrN3O3/c10-5-3-11-4-7(8(5)14)12-9(15)6-1-2-16-13-6/h1-4H,(H,11,14)(H,12,15)
InChIKeyOZUDWJGCOYDCDY-UHFFFAOYSA-N
XLogP1.38
TPSA87.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.07
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-4-oxo-1H-pyridin-3-yl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(5-bromo-4-oxo-1H-pyridin-3-yl)-1,2-oxazole-3-carboxamide (CID 75434530) is N-(5-bromo-4-oxo-1H-pyridin-3-yl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(5-bromo-4-oxo-1H-pyridin-3-yl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(5-bromo-4-oxo-1H-pyridin-3-yl)-1,2-oxazole-3-carboxamide is O=C(Nc1c[nH]cc(Br)c1=O)c1ccon1.
What is the InChIKey of N-(5-bromo-4-oxo-1H-pyridin-3-yl)-1,2-oxazole-3-carboxamide?
The InChIKey is OZUDWJGCOYDCDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrN3O3/c10-5-3-11-4-7(8(5)14)12-9(15)6-1-2-16-13-6/h1-4H,(H,11,14)(H,12,15).
What are the key properties of N-(5-bromo-4-oxo-1H-pyridin-3-yl)-1,2-oxazole-3-carboxamide?
N-(5-bromo-4-oxo-1H-pyridin-3-yl)-1,2-oxazole-3-carboxamide has a molecular weight of 284.07 g/mol, XLogP of 1.38, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-4-oxo-1H-pyridin-3-yl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 75434530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).