2-oxo-N-(5-propan-2-yl-1,2-oxazol-4-yl)-1H-pyridine-4-carboxamide

C12H13N3O3 — CID 138012534

IUPAC2-oxo-N-(5-propan-2-yl-1,2-oxazol-4-yl)-1H-pyridine-4-carboxamide
SMILESCC(C)c1oncc1NC(=O)c1cc[nH]c(=O)c1
InChIInChI=1S/C12H13N3O3/c1-7(2)11-9(6-14-18-11)15-12(17)8-3-4-13-10(16)5-8/h3-7H,1-2H3,(H,13,16)(H,15,17)
InChIKeyKTKSOHFENKIFBZ-UHFFFAOYSA-N
MW247.25 g/mol
LogP1.74
Rot. Bonds3

About 2-oxo-N-(5-propan-2-yl-1,2-oxazol-4-yl)-1H-pyridine-4-carboxamide

2-oxo-N-(5-propan-2-yl-1,2-oxazol-4-yl)-1H-pyridine-4-carboxamide (PubChem CID 138012534) has the molecular formula C12H13N3O3 and a molecular weight of 247.25 g/mol. Its IUPAC name is 2-oxo-N-(5-propan-2-yl-1,2-oxazol-4-yl)-1H-pyridine-4-carboxamide.

Molecular Properties

Compound Name2-oxo-N-(5-propan-2-yl-1,2-oxazol-4-yl)-1H-pyridine-4-carboxamide
PubChem CID138012534
Molecular FormulaC12H13N3O3
Molecular Weight247.25 g/mol
Exact Mass247.10
IUPAC Name2-oxo-N-(5-propan-2-yl-1,2-oxazol-4-yl)-1H-pyridine-4-carboxamide
SMILESCC(C)c1oncc1NC(=O)c1cc[nH]c(=O)c1
InChIInChI=1S/C12H13N3O3/c1-7(2)11-9(6-14-18-11)15-12(17)8-3-4-13-10(16)5-8/h3-7H,1-2H3,(H,13,16)(H,15,17)
InChIKeyKTKSOHFENKIFBZ-UHFFFAOYSA-N
XLogP1.74
TPSA87.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-(5-propan-2-yl-1,2-oxazol-4-yl)-1H-pyridine-4-carboxamide?
The IUPAC name of 2-oxo-N-(5-propan-2-yl-1,2-oxazol-4-yl)-1H-pyridine-4-carboxamide (CID 138012534) is 2-oxo-N-(5-propan-2-yl-1,2-oxazol-4-yl)-1H-pyridine-4-carboxamide.
What is the SMILES notation for 2-oxo-N-(5-propan-2-yl-1,2-oxazol-4-yl)-1H-pyridine-4-carboxamide?
The canonical SMILES for 2-oxo-N-(5-propan-2-yl-1,2-oxazol-4-yl)-1H-pyridine-4-carboxamide is CC(C)c1oncc1NC(=O)c1cc[nH]c(=O)c1.
What is the InChIKey of 2-oxo-N-(5-propan-2-yl-1,2-oxazol-4-yl)-1H-pyridine-4-carboxamide?
The InChIKey is KTKSOHFENKIFBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3/c1-7(2)11-9(6-14-18-11)15-12(17)8-3-4-13-10(16)5-8/h3-7H,1-2H3,(H,13,16)(H,15,17).
What are the key properties of 2-oxo-N-(5-propan-2-yl-1,2-oxazol-4-yl)-1H-pyridine-4-carboxamide?
2-oxo-N-(5-propan-2-yl-1,2-oxazol-4-yl)-1H-pyridine-4-carboxamide has a molecular weight of 247.25 g/mol, XLogP of 1.74, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-(5-propan-2-yl-1,2-oxazol-4-yl)-1H-pyridine-4-carboxamide is sourced from PubChem (CID 138012534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).