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

C10H8BrN3O3 — CID 75392824

IUPACN-(5-bromo-4-oxo-1H-pyridin-3-yl)-5-methyl-1,3-oxazole-4-carboxamide
SMILESCc1ocnc1C(=O)Nc1c[nH]cc(Br)c1=O
InChIInChI=1S/C10H8BrN3O3/c1-5-8(13-4-17-5)10(16)14-7-3-12-2-6(11)9(7)15/h2-4H,1H3,(H,12,15)(H,14,16)
InChIKeyRJWZAYSSSQKLGF-UHFFFAOYSA-N
MW298.10 g/mol
LogP1.69
Rot. Bonds2

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

N-(5-bromo-4-oxo-1H-pyridin-3-yl)-5-methyl-1,3-oxazole-4-carboxamide (PubChem CID 75392824) has the molecular formula C10H8BrN3O3 and a molecular weight of 298.10 g/mol. Its IUPAC name is N-(5-bromo-4-oxo-1H-pyridin-3-yl)-5-methyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-4-oxo-1H-pyridin-3-yl)-5-methyl-1,3-oxazole-4-carboxamide
PubChem CID75392824
Molecular FormulaC10H8BrN3O3
Molecular Weight298.10 g/mol
Exact Mass296.97
IUPAC NameN-(5-bromo-4-oxo-1H-pyridin-3-yl)-5-methyl-1,3-oxazole-4-carboxamide
SMILESCc1ocnc1C(=O)Nc1c[nH]cc(Br)c1=O
InChIInChI=1S/C10H8BrN3O3/c1-5-8(13-4-17-5)10(16)14-7-3-12-2-6(11)9(7)15/h2-4H,1H3,(H,12,15)(H,14,16)
InChIKeyRJWZAYSSSQKLGF-UHFFFAOYSA-N
XLogP1.69
TPSA87.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.10
LogP ≤ 51.69
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)-5-methyl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-(5-bromo-4-oxo-1H-pyridin-3-yl)-5-methyl-1,3-oxazole-4-carboxamide (CID 75392824) is N-(5-bromo-4-oxo-1H-pyridin-3-yl)-5-methyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-(5-bromo-4-oxo-1H-pyridin-3-yl)-5-methyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-(5-bromo-4-oxo-1H-pyridin-3-yl)-5-methyl-1,3-oxazole-4-carboxamide is Cc1ocnc1C(=O)Nc1c[nH]cc(Br)c1=O.
What is the InChIKey of N-(5-bromo-4-oxo-1H-pyridin-3-yl)-5-methyl-1,3-oxazole-4-carboxamide?
The InChIKey is RJWZAYSSSQKLGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrN3O3/c1-5-8(13-4-17-5)10(16)14-7-3-12-2-6(11)9(7)15/h2-4H,1H3,(H,12,15)(H,14,16).
What are the key properties of N-(5-bromo-4-oxo-1H-pyridin-3-yl)-5-methyl-1,3-oxazole-4-carboxamide?
N-(5-bromo-4-oxo-1H-pyridin-3-yl)-5-methyl-1,3-oxazole-4-carboxamide has a molecular weight of 298.10 g/mol, XLogP of 1.69, 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)-5-methyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 75392824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).