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

C13H15N3O3S — CID 53337378

IUPACethyl 2-[[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]sulfanyl]acetate
SMILESCCOC(=O)CSc1ccc(-c2nc(CC)no2)cn1
InChIInChI=1S/C13H15N3O3S/c1-3-10-15-13(19-16-10)9-5-6-11(14-7-9)20-8-12(17)18-4-2/h5-7H,3-4,8H2,1-2H3
InChIKeyYDUVKKPVOBVHMC-UHFFFAOYSA-N
MW293.35 g/mol
LogP2.35
Rot. Bonds6

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

ethyl 2-[[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]sulfanyl]acetate (PubChem CID 53337378) has the molecular formula C13H15N3O3S and a molecular weight of 293.35 g/mol. Its IUPAC name is ethyl 2-[[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]sulfanyl]acetate.

Molecular Properties

Compound Nameethyl 2-[[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]sulfanyl]acetate
PubChem CID53337378
Molecular FormulaC13H15N3O3S
Molecular Weight293.35 g/mol
Exact Mass293.08
IUPAC Nameethyl 2-[[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]sulfanyl]acetate
SMILESCCOC(=O)CSc1ccc(-c2nc(CC)no2)cn1
InChIInChI=1S/C13H15N3O3S/c1-3-10-15-13(19-16-10)9-5-6-11(14-7-9)20-8-12(17)18-4-2/h5-7H,3-4,8H2,1-2H3
InChIKeyYDUVKKPVOBVHMC-UHFFFAOYSA-N
XLogP2.35
TPSA78.11 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze ethyl 2-[[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]sulfanyl]acetate with MolForge

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Related Compounds

2-{[N-(5-methylisoxazol-3-yl)carbamoyl]methylthio}pyridine-3-carboxylic acid
CID 1174569
3-[3-(Thiophen-2-yl)-1,2,4-oxadiazol-5-yl]pyridine
CID 4916164
N-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(1,3-thiazol-2-ylmethyl)-2-pyridinamine
CID 45181282
5-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-(1,3-thiazol-2-ylmethyl)-2-pyridinamine
CID 45193285
Ethyl 1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-3-piperidinecarboxylate
CID 45200769
N-(2,4-difluorophenyl)-2-((5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyridin-2-yl)thio)acetamide
CID 49665183
N-(2,4-difluorobenzyl)-2-((5-(3-ethyl-1,2,4-oxadiazol-5-yl)pyridin-2-yl)thio)acetamide
CID 49665234
{[5-(3-Ethyl-1,2,4-oxadiazol-5-yl)pyridin-2-yl]sulfanyl}acetic acid
CID 53337375
Ethyl {[5-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-yl]sulfanyl}acetate
CID 53337379
(1-(5-(3-Methyl-1,2,4-oxadiazol-5-yl)pyridin-2-yl)piperidin-3-yl)(thiomorpholino)methanone
CID 71794397
2-((3-(3-(4-Fluorophenyl)-1,2,4-oxadiazol-5-yl)pyridin-2-yl)thio)-1-(pyrrolidin-1-yl)ethanone
CID 71802568
N-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(4-methylsulfinylphenyl)methyl]pyridin-2-amine
CID 71862323

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]sulfanyl]acetate?
The IUPAC name of ethyl 2-[[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]sulfanyl]acetate (CID 53337378) is ethyl 2-[[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]sulfanyl]acetate.
What is the SMILES notation for ethyl 2-[[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]sulfanyl]acetate?
The canonical SMILES for ethyl 2-[[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]sulfanyl]acetate is CCOC(=O)CSc1ccc(-c2nc(CC)no2)cn1.
What is the InChIKey of ethyl 2-[[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]sulfanyl]acetate?
The InChIKey is YDUVKKPVOBVHMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3S/c1-3-10-15-13(19-16-10)9-5-6-11(14-7-9)20-8-12(17)18-4-2/h5-7H,3-4,8H2,1-2H3.
What are the key properties of ethyl 2-[[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]sulfanyl]acetate?
ethyl 2-[[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]sulfanyl]acetate has a molecular weight of 293.35 g/mol, XLogP of 2.35, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]sulfanyl]acetate is sourced from PubChem (CID 53337378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).