ethyl 2-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]acetate

C12H13N3O3 — CID 79474342

IUPACethyl 2-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]acetate
SMILESCCOC(=O)Cc1nc(Cc2ccccn2)no1
InChIInChI=1S/C12H13N3O3/c1-2-17-12(16)8-11-14-10(15-18-11)7-9-5-3-4-6-13-9/h3-6H,2,7-8H2,1H3
InChIKeyUIGLRLIOLSNJEU-UHFFFAOYSA-N
MW247.25 g/mol
LogP1.16
Rot. Bonds5

About ethyl 2-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]acetate

ethyl 2-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]acetate (PubChem CID 79474342) has the molecular formula C12H13N3O3 and a molecular weight of 247.25 g/mol. Its IUPAC name is ethyl 2-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]acetate
PubChem CID79474342
Molecular FormulaC12H13N3O3
Molecular Weight247.25 g/mol
Exact Mass247.10
IUPAC Nameethyl 2-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]acetate
SMILESCCOC(=O)Cc1nc(Cc2ccccn2)no1
InChIInChI=1S/C12H13N3O3/c1-2-17-12(16)8-11-14-10(15-18-11)7-9-5-3-4-6-13-9/h3-6H,2,7-8H2,1H3
InChIKeyUIGLRLIOLSNJEU-UHFFFAOYSA-N
XLogP1.16
TPSA78.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]acetate
CID 79474343
ethyl 2-methyl-2-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propanoate
CID 79471489
ethyl 2-[3-[(3-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]acetate
CID 79474823
3,3-dimethyl-4-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]butanoic acid
CID 62932852
ethyl 2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]acetate
CID 79475312
ethyl 2-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)acetate
CID 79481902
1-methoxy-N-methyl-3-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 63347758
N-propyl-1-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 63348226
ethyl acetate;2-pyridin-2-ylacetic acid
CID 70044808
[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]hydrazine
CID 62596515
ethyl 2-[methyl-(2-pyridin-2-ylacetyl)amino]acetate
CID 55003377
ethyl 2-[(2-pyridin-2-ylacetyl)amino]acetate
CID 55026375

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]acetate?
The IUPAC name of ethyl 2-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]acetate (CID 79474342) is ethyl 2-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]acetate.
What is the SMILES notation for ethyl 2-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]acetate?
The canonical SMILES for ethyl 2-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]acetate is CCOC(=O)Cc1nc(Cc2ccccn2)no1.
What is the InChIKey of ethyl 2-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]acetate?
The InChIKey is UIGLRLIOLSNJEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3/c1-2-17-12(16)8-11-14-10(15-18-11)7-9-5-3-4-6-13-9/h3-6H,2,7-8H2,1H3.
What are the key properties of ethyl 2-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]acetate?
ethyl 2-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]acetate has a molecular weight of 247.25 g/mol, XLogP of 1.16, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]acetate is sourced from PubChem (CID 79474342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).