1-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]ethanone

C11H11N3O2 — CID 82740955

IUPAC1-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]ethanone
SMILESCCc1cccnc1-c1noc(C(C)=O)n1
InChIInChI=1S/C11H11N3O2/c1-3-8-5-4-6-12-9(8)10-13-11(7(2)15)16-14-10/h4-6H,3H2,1-2H3
InChIKeyRUVBNWAAXRRVTD-UHFFFAOYSA-N
MW217.23 g/mol
LogP1.90
Rot. Bonds3

About 1-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]ethanone

1-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]ethanone (PubChem CID 82740955) has the molecular formula C11H11N3O2 and a molecular weight of 217.23 g/mol. Its IUPAC name is 1-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]ethanone
PubChem CID82740955
Molecular FormulaC11H11N3O2
Molecular Weight217.23 g/mol
Exact Mass217.09
IUPAC Name1-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]ethanone
SMILESCCc1cccnc1-c1noc(C(C)=O)n1
InChIInChI=1S/C11H11N3O2/c1-3-8-5-4-6-12-9(8)10-13-11(7(2)15)16-14-10/h4-6H,3H2,1-2H3
InChIKeyRUVBNWAAXRRVTD-UHFFFAOYSA-N
XLogP1.90
TPSA68.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazole
CID 82741728
2-[[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methoxy]acetic acid
CID 82730434
1-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-4-methylpentan-2-one
CID 82741272
2-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]acetonitrile
CID 106526504
(1S)-1-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 104881133
5-(azetidin-3-ylmethyl)-3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazole
CID 82736501
1-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol
CID 82740956
1-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine
CID 82736724
2-bromo-5-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol
CID 104938518
5-[chloro(phenyl)methyl]-3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazole
CID 82731808
6-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]hexan-1-amine
CID 82736599
4-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]thiolan-3-ol
CID 83201224

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]ethanone?
The IUPAC name of 1-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]ethanone (CID 82740955) is 1-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]ethanone.
What is the SMILES notation for 1-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]ethanone?
The canonical SMILES for 1-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]ethanone is CCc1cccnc1-c1noc(C(C)=O)n1.
What is the InChIKey of 1-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]ethanone?
The InChIKey is RUVBNWAAXRRVTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2/c1-3-8-5-4-6-12-9(8)10-13-11(7(2)15)16-14-10/h4-6H,3H2,1-2H3.
What are the key properties of 1-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]ethanone?
1-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]ethanone has a molecular weight of 217.23 g/mol, XLogP of 1.90, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]ethanone is sourced from PubChem (CID 82740955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).