3-[5-[2-(dimethylamino)ethoxy]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one

C11H14N4O3 — CID 177365451

IUPAC3-[5-[2-(dimethylamino)ethoxy]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one
SMILESCN(C)CCOc1ccc(-c2noc(=O)[nH]2)nc1
InChIInChI=1S/C11H14N4O3/c1-15(2)5-6-17-8-3-4-9(12-7-8)10-13-11(16)18-14-10/h3-4,7H,5-6H2,1-2H3,(H,13,14,16)
InChIKeyDEDMDZNPBHPRJS-UHFFFAOYSA-N
MW250.26 g/mol
LogP0.37
Rot. Bonds5

About 3-[5-[2-(dimethylamino)ethoxy]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one

3-[5-[2-(dimethylamino)ethoxy]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one (PubChem CID 177365451) has the molecular formula C11H14N4O3 and a molecular weight of 250.26 g/mol. Its IUPAC name is 3-[5-[2-(dimethylamino)ethoxy]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one.

Molecular Properties

Compound Name3-[5-[2-(dimethylamino)ethoxy]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one
PubChem CID177365451
Molecular FormulaC11H14N4O3
Molecular Weight250.26 g/mol
Exact Mass250.11
IUPAC Name3-[5-[2-(dimethylamino)ethoxy]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one
SMILESCN(C)CCOc1ccc(-c2noc(=O)[nH]2)nc1
InChIInChI=1S/C11H14N4O3/c1-15(2)5-6-17-8-3-4-9(12-7-8)10-13-11(16)18-14-10/h3-4,7H,5-6H2,1-2H3,(H,13,14,16)
InChIKeyDEDMDZNPBHPRJS-UHFFFAOYSA-N
XLogP0.37
TPSA84.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[5-[3-(dimethylamino)propoxy]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one
CID 177365430
3-[5-[3-(dimethylamino)propylamino]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one
CID 177365412
3-[5-[2-(azepan-1-yl)ethoxy]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one
CID 177365487
3-[5-(3-morpholin-4-ylpropoxy)-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one
CID 177365359
3-[5-[2-(1,3-dihydroisoindol-2-yl)ethoxy]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one
CID 177365457
3-[5-(3-piperidin-1-ylpropoxy)-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one;hydrochloride
CID 177365517
3-[5-(4-piperazin-1-ylbutoxy)-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one
CID 177365390
3-[5-[2-(4-acetylpiperazin-1-yl)ethoxy]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one
CID 177365479
3-[5-[3-(4-hydroxypiperidin-1-yl)propoxy]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one;hydrochloride
CID 177365440
3-[5-[[(3R)-1-ethylpiperidin-3-yl]methoxy]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one
CID 177365431
3-[5-[[1-[(2-ethylphenyl)methyl]piperidin-4-yl]methoxy]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one
CID 177365498
2-[(6-ethenyl-3-pyridinyl)oxy]-N,N-dimethylethanamine
CID 175999617

Frequently Asked Questions

What is the IUPAC name of 3-[5-[2-(dimethylamino)ethoxy]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one?
The IUPAC name of 3-[5-[2-(dimethylamino)ethoxy]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one (CID 177365451) is 3-[5-[2-(dimethylamino)ethoxy]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one.
What is the SMILES notation for 3-[5-[2-(dimethylamino)ethoxy]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one?
The canonical SMILES for 3-[5-[2-(dimethylamino)ethoxy]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one is CN(C)CCOc1ccc(-c2noc(=O)[nH]2)nc1.
What is the InChIKey of 3-[5-[2-(dimethylamino)ethoxy]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one?
The InChIKey is DEDMDZNPBHPRJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O3/c1-15(2)5-6-17-8-3-4-9(12-7-8)10-13-11(16)18-14-10/h3-4,7H,5-6H2,1-2H3,(H,13,14,16).
What are the key properties of 3-[5-[2-(dimethylamino)ethoxy]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one?
3-[5-[2-(dimethylamino)ethoxy]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one has a molecular weight of 250.26 g/mol, XLogP of 0.37, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[2-(dimethylamino)ethoxy]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one is sourced from PubChem (CID 177365451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).