1-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)ethanone

C9H7N3O2 — CID 82281186

IUPAC1-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)ethanone
SMILESCC(=O)c1noc(-c2ccncc2)n1
InChIInChI=1S/C9H7N3O2/c1-6(13)8-11-9(14-12-8)7-2-4-10-5-3-7/h2-5H,1H3
InChIKeyKCCMOLHWUTYFKP-UHFFFAOYSA-N
MW189.17 g/mol
LogP1.33
Rot. Bonds2

About 1-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)ethanone

1-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)ethanone (PubChem CID 82281186) has the molecular formula C9H7N3O2 and a molecular weight of 189.17 g/mol. Its IUPAC name is 1-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)ethanone.

Molecular Properties

Compound Name1-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)ethanone
PubChem CID82281186
Molecular FormulaC9H7N3O2
Molecular Weight189.17 g/mol
Exact Mass189.05
IUPAC Name1-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)ethanone
SMILESCC(=O)c1noc(-c2ccncc2)n1
InChIInChI=1S/C9H7N3O2/c1-6(13)8-11-9(14-12-8)7-2-4-10-5-3-7/h2-5H,1H3
InChIKeyKCCMOLHWUTYFKP-UHFFFAOYSA-N
XLogP1.33
TPSA68.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.17
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)ethanone?
The IUPAC name of 1-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)ethanone (CID 82281186) is 1-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)ethanone.
What is the SMILES notation for 1-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)ethanone?
The canonical SMILES for 1-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)ethanone is CC(=O)c1noc(-c2ccncc2)n1.
What is the InChIKey of 1-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)ethanone?
The InChIKey is KCCMOLHWUTYFKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3O2/c1-6(13)8-11-9(14-12-8)7-2-4-10-5-3-7/h2-5H,1H3.
What are the key properties of 1-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)ethanone?
1-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)ethanone has a molecular weight of 189.17 g/mol, XLogP of 1.33, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)ethanone is sourced from PubChem (CID 82281186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).