N-(6-bromo-3-pyridinyl)-1,2-oxazole-3-carboxamide

C9H6BrN3O2 — CID 103789487

IUPACN-(6-bromo-3-pyridinyl)-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1ccc(Br)nc1)c1ccon1
InChIInChI=1S/C9H6BrN3O2/c10-8-2-1-6(5-11-8)12-9(14)7-3-4-15-13-7/h1-5H,(H,12,14)
InChIKeyOGFNRTGSTXWMKI-UHFFFAOYSA-N
MW268.07 g/mol
LogP2.08
Rot. Bonds2

About N-(6-bromo-3-pyridinyl)-1,2-oxazole-3-carboxamide

N-(6-bromo-3-pyridinyl)-1,2-oxazole-3-carboxamide (PubChem CID 103789487) has the molecular formula C9H6BrN3O2 and a molecular weight of 268.07 g/mol. Its IUPAC name is N-(6-bromo-3-pyridinyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(6-bromo-3-pyridinyl)-1,2-oxazole-3-carboxamide
PubChem CID103789487
Molecular FormulaC9H6BrN3O2
Molecular Weight268.07 g/mol
Exact Mass266.96
IUPAC NameN-(6-bromo-3-pyridinyl)-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1ccc(Br)nc1)c1ccon1
InChIInChI=1S/C9H6BrN3O2/c10-8-2-1-6(5-11-8)12-9(14)7-3-4-15-13-7/h1-5H,(H,12,14)
InChIKeyOGFNRTGSTXWMKI-UHFFFAOYSA-N
XLogP2.08
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.07
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze N-(6-bromo-3-pyridinyl)-1,2-oxazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-bromo-3-fluorophenyl)-1,2-oxazole-3-carboxamide
CID 65430131
N-[4-(chloromethyl)phenyl]-1,2-oxazole-3-carboxamide
CID 114299970
N-(6-bromo-3-pyridinyl)-6-methylpyridine-2-carboxamide
CID 103789394
N-(6-bromo-3-pyridinyl)-4-fluorobenzamide
CID 44602373
N-(6-bromo-3-pyridinyl)-6-chloropyridine-3-carboxamide
CID 103789282
6-bromo-N-(6-chloro-3-pyridinyl)pyridine-3-carboxamide
CID 79420958
2-[4-(1,2-oxazole-3-carbonylamino)phenoxy]acetic acid
CID 63745197
N-(6-bromo-3-pyridinyl)-5-methylfuran-2-carboxamide
CID 103789352
N-(chloromethyl)-1,2-oxazole-3-carboxamide
CID 91516447
N-(6-bromo-3-pyridinyl)-1H-pyrazole-5-carboxamide
CID 103789326
5-(1,2-oxazole-3-carbonylamino)pyridine-3-carboxylic acid
CID 63154305
1-[4-(1,2-oxazole-3-carbonylamino)phenyl]cyclopropane-1-carboxylic acid
CID 115912936

Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-3-pyridinyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(6-bromo-3-pyridinyl)-1,2-oxazole-3-carboxamide (CID 103789487) is N-(6-bromo-3-pyridinyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(6-bromo-3-pyridinyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(6-bromo-3-pyridinyl)-1,2-oxazole-3-carboxamide is O=C(Nc1ccc(Br)nc1)c1ccon1.
What is the InChIKey of N-(6-bromo-3-pyridinyl)-1,2-oxazole-3-carboxamide?
The InChIKey is OGFNRTGSTXWMKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrN3O2/c10-8-2-1-6(5-11-8)12-9(14)7-3-4-15-13-7/h1-5H,(H,12,14).
What are the key properties of N-(6-bromo-3-pyridinyl)-1,2-oxazole-3-carboxamide?
N-(6-bromo-3-pyridinyl)-1,2-oxazole-3-carboxamide has a molecular weight of 268.07 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-3-pyridinyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 103789487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).