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

C10H9N3O2 — CID 115078766

IUPAC1-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)propan-2-one
SMILESCC(=O)Cc1noc(-c2ccccn2)n1
InChIInChI=1S/C10H9N3O2/c1-7(14)6-9-12-10(15-13-9)8-4-2-3-5-11-8/h2-5H,6H2,1H3
InChIKeyPIQLIJCFVYAXMD-UHFFFAOYSA-N
MW203.20 g/mol
LogP1.26
Rot. Bonds3

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

1-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)propan-2-one (PubChem CID 115078766) has the molecular formula C10H9N3O2 and a molecular weight of 203.20 g/mol. Its IUPAC name is 1-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)propan-2-one.

Molecular Properties

Compound Name1-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)propan-2-one
PubChem CID115078766
Molecular FormulaC10H9N3O2
Molecular Weight203.20 g/mol
Exact Mass203.07
IUPAC Name1-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)propan-2-one
SMILESCC(=O)Cc1noc(-c2ccccn2)n1
InChIInChI=1S/C10H9N3O2/c1-7(14)6-9-12-10(15-13-9)8-4-2-3-5-11-8/h2-5H,6H2,1H3
InChIKeyPIQLIJCFVYAXMD-UHFFFAOYSA-N
XLogP1.26
TPSA68.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)ethanamine;hydrochloride
CID 50988726
(2S)-2-methoxy-2-phenyl-N-[2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)ethyl]acetamide
CID 96999508
5-fluoro-2-hydroxy-N-[2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)ethyl]benzamide
CID 71975959
2-methyl-1-(2-pyridin-2-ylethyl)-3-[2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)ethyl]guanidine
CID 111762365
1,3-diethyl-2-[2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)ethyl]guanidine;hydroiodide
CID 111427089
1-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]propan-2-one
CID 115079227
1-[2-(2-methoxyphenyl)ethyl]-2-methyl-3-[2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)ethyl]guanidine
CID 111766049
2-methyl-1-(3-phenylpropyl)-3-[2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)ethyl]guanidine
CID 111762693
N-methyl-5-pyridin-2-yl-1,2,4-oxadiazol-3-amine
CID 146482202
1-[5-(5-chlorothiophen-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-one
CID 115078709
ethyl 6-methyl-5-[2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)ethylcarbamoyl]pyridine-3-carboxylate
CID 154835412
2-methyl-1-(2-phenylsulfanylethyl)-3-[2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)ethyl]guanidine
CID 111767321

Frequently Asked Questions

What is the IUPAC name of 1-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)propan-2-one?
The IUPAC name of 1-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)propan-2-one (CID 115078766) is 1-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)propan-2-one.
What is the SMILES notation for 1-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)propan-2-one?
The canonical SMILES for 1-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)propan-2-one is CC(=O)Cc1noc(-c2ccccn2)n1.
What is the InChIKey of 1-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)propan-2-one?
The InChIKey is PIQLIJCFVYAXMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O2/c1-7(14)6-9-12-10(15-13-9)8-4-2-3-5-11-8/h2-5H,6H2,1H3.
What are the key properties of 1-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)propan-2-one?
1-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)propan-2-one has a molecular weight of 203.20 g/mol, XLogP of 1.26, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)propan-2-one is sourced from PubChem (CID 115078766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).