5-bromo-N-(4-methyl-1,3-oxazol-2-yl)pyridine-3-carboxamide

C10H8BrN3O2 — CID 115669424

IUPAC5-bromo-N-(4-methyl-1,3-oxazol-2-yl)pyridine-3-carboxamide
SMILESCc1coc(NC(=O)c2cncc(Br)c2)n1
InChIInChI=1S/C10H8BrN3O2/c1-6-5-16-10(13-6)14-9(15)7-2-8(11)4-12-3-7/h2-5H,1H3,(H,13,14,15)
InChIKeyLMWGOPAHNMMZPJ-UHFFFAOYSA-N
MW282.10 g/mol
LogP2.39
Rot. Bonds2

About 5-bromo-N-(4-methyl-1,3-oxazol-2-yl)pyridine-3-carboxamide

5-bromo-N-(4-methyl-1,3-oxazol-2-yl)pyridine-3-carboxamide (PubChem CID 115669424) has the molecular formula C10H8BrN3O2 and a molecular weight of 282.10 g/mol. Its IUPAC name is 5-bromo-N-(4-methyl-1,3-oxazol-2-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(4-methyl-1,3-oxazol-2-yl)pyridine-3-carboxamide
PubChem CID115669424
Molecular FormulaC10H8BrN3O2
Molecular Weight282.10 g/mol
Exact Mass280.98
IUPAC Name5-bromo-N-(4-methyl-1,3-oxazol-2-yl)pyridine-3-carboxamide
SMILESCc1coc(NC(=O)c2cncc(Br)c2)n1
InChIInChI=1S/C10H8BrN3O2/c1-6-5-16-10(13-6)14-9(15)7-2-8(11)4-12-3-7/h2-5H,1H3,(H,13,14,15)
InChIKeyLMWGOPAHNMMZPJ-UHFFFAOYSA-N
XLogP2.39
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.10
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(4-methyl-1,3-oxazol-2-yl)pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-(4-methyl-1,3-oxazol-2-yl)pyridine-3-carboxamide (CID 115669424) is 5-bromo-N-(4-methyl-1,3-oxazol-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-(4-methyl-1,3-oxazol-2-yl)pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-(4-methyl-1,3-oxazol-2-yl)pyridine-3-carboxamide is Cc1coc(NC(=O)c2cncc(Br)c2)n1.
What is the InChIKey of 5-bromo-N-(4-methyl-1,3-oxazol-2-yl)pyridine-3-carboxamide?
The InChIKey is LMWGOPAHNMMZPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrN3O2/c1-6-5-16-10(13-6)14-9(15)7-2-8(11)4-12-3-7/h2-5H,1H3,(H,13,14,15).
What are the key properties of 5-bromo-N-(4-methyl-1,3-oxazol-2-yl)pyridine-3-carboxamide?
5-bromo-N-(4-methyl-1,3-oxazol-2-yl)pyridine-3-carboxamide has a molecular weight of 282.10 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(4-methyl-1,3-oxazol-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 115669424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).