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

C8H12N2O3S — CID 8708310

IUPACethyl 2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetate
SMILESCCOC(=O)CSc1nnc(CC)o1
InChIInChI=1S/C8H12N2O3S/c1-3-6-9-10-8(13-6)14-5-7(11)12-4-2/h3-5H2,1-2H3
InChIKeyPKSKYOIYAROEOC-UHFFFAOYSA-N
MW216.26 g/mol
LogP1.29
Rot. Bonds5

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

ethyl 2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetate (PubChem CID 8708310) has the molecular formula C8H12N2O3S and a molecular weight of 216.26 g/mol. Its IUPAC name is ethyl 2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetate.

Molecular Properties

Compound Nameethyl 2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetate
PubChem CID8708310
Molecular FormulaC8H12N2O3S
Molecular Weight216.26 g/mol
Exact Mass216.06
IUPAC Nameethyl 2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetate
SMILESCCOC(=O)CSc1nnc(CC)o1
InChIInChI=1S/C8H12N2O3S/c1-3-6-9-10-8(13-6)14-5-7(11)12-4-2/h3-5H2,1-2H3
InChIKeyPKSKYOIYAROEOC-UHFFFAOYSA-N
XLogP1.29
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.26
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetate?
The IUPAC name of ethyl 2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetate (CID 8708310) is ethyl 2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetate.
What is the SMILES notation for ethyl 2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetate?
The canonical SMILES for ethyl 2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetate is CCOC(=O)CSc1nnc(CC)o1.
What is the InChIKey of ethyl 2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetate?
The InChIKey is PKSKYOIYAROEOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3S/c1-3-6-9-10-8(13-6)14-5-7(11)12-4-2/h3-5H2,1-2H3.
What are the key properties of ethyl 2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetate?
ethyl 2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetate has a molecular weight of 216.26 g/mol, XLogP of 1.29, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetate is sourced from PubChem (CID 8708310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).