N-(6-bromo-2-pyridinyl)-1,2-oxazole-5-carboxamide

C9H6BrN3O2 — CID 43520484

IUPACN-(6-bromo-2-pyridinyl)-1,2-oxazole-5-carboxamide
SMILESO=C(Nc1cccc(Br)n1)c1ccno1
InChIInChI=1S/C9H6BrN3O2/c10-7-2-1-3-8(12-7)13-9(14)6-4-5-11-15-6/h1-5H,(H,12,13,14)
InChIKeySIUOIKIOYLMZNJ-UHFFFAOYSA-N
MW268.07 g/mol
LogP2.08
Rot. Bonds2

About N-(6-bromo-2-pyridinyl)-1,2-oxazole-5-carboxamide

N-(6-bromo-2-pyridinyl)-1,2-oxazole-5-carboxamide (PubChem CID 43520484) has the molecular formula C9H6BrN3O2 and a molecular weight of 268.07 g/mol. Its IUPAC name is N-(6-bromo-2-pyridinyl)-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(6-bromo-2-pyridinyl)-1,2-oxazole-5-carboxamide
PubChem CID43520484
Molecular FormulaC9H6BrN3O2
Molecular Weight268.07 g/mol
Exact Mass266.96
IUPAC NameN-(6-bromo-2-pyridinyl)-1,2-oxazole-5-carboxamide
SMILESO=C(Nc1cccc(Br)n1)c1ccno1
InChIInChI=1S/C9H6BrN3O2/c10-7-2-1-3-8(12-7)13-9(14)6-4-5-11-15-6/h1-5H,(H,12,13,14)
InChIKeySIUOIKIOYLMZNJ-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'}

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Related Compounds

N-(6-bromo-2-pyridinyl)benzamide
CID 43520453
6-bromo-N-(6-bromo-2-pyridinyl)pyridine-3-carboxamide
CID 59408764
N-(6-bromo-2-pyridinyl)-4-hydroxybenzamide
CID 43520413
2-bromo-N-(6-bromo-2-pyridinyl)benzamide
CID 43520587
3,5-dibromo-N-(6-bromo-2-pyridinyl)benzamide
CID 114022639
N-(6-bromo-2-pyridinyl)-2,5-difluorobenzamide
CID 43520386
2-bromo-N-(6-bromo-2-pyridinyl)-5-fluorobenzamide
CID 43520358
N-(6-bromo-2-pyridinyl)propanamide
CID 43520454
N-(6-bromo-2-pyridinyl)-4-fluoro-2-hydroxybenzamide
CID 103829790
N-(6-bromo-2-pyridinyl)thiadiazole-5-carboxamide
CID 47785684
4,5-dibromo-N-(6-bromo-2-pyridinyl)thiophene-2-carboxamide
CID 78971768
2,4-dibromo-N-(6-bromo-2-pyridinyl)benzamide
CID 103882532

Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-2-pyridinyl)-1,2-oxazole-5-carboxamide?
The IUPAC name of N-(6-bromo-2-pyridinyl)-1,2-oxazole-5-carboxamide (CID 43520484) is N-(6-bromo-2-pyridinyl)-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-(6-bromo-2-pyridinyl)-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-(6-bromo-2-pyridinyl)-1,2-oxazole-5-carboxamide is O=C(Nc1cccc(Br)n1)c1ccno1.
What is the InChIKey of N-(6-bromo-2-pyridinyl)-1,2-oxazole-5-carboxamide?
The InChIKey is SIUOIKIOYLMZNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrN3O2/c10-7-2-1-3-8(12-7)13-9(14)6-4-5-11-15-6/h1-5H,(H,12,13,14).
What are the key properties of N-(6-bromo-2-pyridinyl)-1,2-oxazole-5-carboxamide?
N-(6-bromo-2-pyridinyl)-1,2-oxazole-5-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-2-pyridinyl)-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 43520484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).