3-hydroxy-2-(5-methyl-1,2,4-oxadiazol-3-yl)-1H-pyridin-4-one

C8H7N3O3 — CID 137177602

IUPAC3-hydroxy-2-(5-methyl-1,2,4-oxadiazol-3-yl)-1H-pyridin-4-one
SMILESCc1nc(-c2[nH]ccc(=O)c2O)no1
InChIInChI=1S/C8H7N3O3/c1-4-10-8(11-14-4)6-7(13)5(12)2-3-9-6/h2-3,13H,1H3,(H,9,12)
InChIKeyFYTBMYPRKJFDQL-UHFFFAOYSA-N
MW193.16 g/mol
LogP0.44
Rot. Bonds1

About 3-hydroxy-2-(5-methyl-1,2,4-oxadiazol-3-yl)-1H-pyridin-4-one

3-hydroxy-2-(5-methyl-1,2,4-oxadiazol-3-yl)-1H-pyridin-4-one (PubChem CID 137177602) has the molecular formula C8H7N3O3 and a molecular weight of 193.16 g/mol. Its IUPAC name is 3-hydroxy-2-(5-methyl-1,2,4-oxadiazol-3-yl)-1H-pyridin-4-one.

Molecular Properties

Compound Name3-hydroxy-2-(5-methyl-1,2,4-oxadiazol-3-yl)-1H-pyridin-4-one
PubChem CID137177602
Molecular FormulaC8H7N3O3
Molecular Weight193.16 g/mol
Exact Mass193.05
IUPAC Name3-hydroxy-2-(5-methyl-1,2,4-oxadiazol-3-yl)-1H-pyridin-4-one
SMILESCc1nc(-c2[nH]ccc(=O)c2O)no1
InChIInChI=1S/C8H7N3O3/c1-4-10-8(11-14-4)6-7(13)5(12)2-3-9-6/h2-3,13H,1H3,(H,9,12)
InChIKeyFYTBMYPRKJFDQL-UHFFFAOYSA-N
XLogP0.44
TPSA92.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.16
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-(5-methyl-1,2,4-oxadiazol-3-yl)-1H-pyridin-4-one?
The IUPAC name of 3-hydroxy-2-(5-methyl-1,2,4-oxadiazol-3-yl)-1H-pyridin-4-one (CID 137177602) is 3-hydroxy-2-(5-methyl-1,2,4-oxadiazol-3-yl)-1H-pyridin-4-one.
What is the SMILES notation for 3-hydroxy-2-(5-methyl-1,2,4-oxadiazol-3-yl)-1H-pyridin-4-one?
The canonical SMILES for 3-hydroxy-2-(5-methyl-1,2,4-oxadiazol-3-yl)-1H-pyridin-4-one is Cc1nc(-c2[nH]ccc(=O)c2O)no1.
What is the InChIKey of 3-hydroxy-2-(5-methyl-1,2,4-oxadiazol-3-yl)-1H-pyridin-4-one?
The InChIKey is FYTBMYPRKJFDQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O3/c1-4-10-8(11-14-4)6-7(13)5(12)2-3-9-6/h2-3,13H,1H3,(H,9,12).
What are the key properties of 3-hydroxy-2-(5-methyl-1,2,4-oxadiazol-3-yl)-1H-pyridin-4-one?
3-hydroxy-2-(5-methyl-1,2,4-oxadiazol-3-yl)-1H-pyridin-4-one has a molecular weight of 193.16 g/mol, XLogP of 0.44, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-(5-methyl-1,2,4-oxadiazol-3-yl)-1H-pyridin-4-one is sourced from PubChem (CID 137177602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).