ethyl 5-ethylsulfanyl-1,3,4-oxadiazole-2-carboxylate

C7H10N2O3S — CID 21486849

IUPACethyl 5-ethylsulfanyl-1,3,4-oxadiazole-2-carboxylate
SMILESCCOC(=O)c1nnc(SCC)o1
InChIInChI=1S/C7H10N2O3S/c1-3-11-6(10)5-8-9-7(12-5)13-4-2/h3-4H2,1-2H3
InChIKeyKANNBFXQCRFPRB-UHFFFAOYSA-N
MW202.23 g/mol
LogP1.36
Rot. Bonds4

About ethyl 5-ethylsulfanyl-1,3,4-oxadiazole-2-carboxylate

ethyl 5-ethylsulfanyl-1,3,4-oxadiazole-2-carboxylate (PubChem CID 21486849) has the molecular formula C7H10N2O3S and a molecular weight of 202.23 g/mol. Its IUPAC name is ethyl 5-ethylsulfanyl-1,3,4-oxadiazole-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-ethylsulfanyl-1,3,4-oxadiazole-2-carboxylate
PubChem CID21486849
Molecular FormulaC7H10N2O3S
Molecular Weight202.23 g/mol
Exact Mass202.04
IUPAC Nameethyl 5-ethylsulfanyl-1,3,4-oxadiazole-2-carboxylate
SMILESCCOC(=O)c1nnc(SCC)o1
InChIInChI=1S/C7H10N2O3S/c1-3-11-6(10)5-8-9-7(12-5)13-4-2/h3-4H2,1-2H3
InChIKeyKANNBFXQCRFPRB-UHFFFAOYSA-N
XLogP1.36
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.23
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-ethylsulfanyl-1,3,4-oxadiazole-2-carboxylate?
The IUPAC name of ethyl 5-ethylsulfanyl-1,3,4-oxadiazole-2-carboxylate (CID 21486849) is ethyl 5-ethylsulfanyl-1,3,4-oxadiazole-2-carboxylate.
What is the SMILES notation for ethyl 5-ethylsulfanyl-1,3,4-oxadiazole-2-carboxylate?
The canonical SMILES for ethyl 5-ethylsulfanyl-1,3,4-oxadiazole-2-carboxylate is CCOC(=O)c1nnc(SCC)o1.
What is the InChIKey of ethyl 5-ethylsulfanyl-1,3,4-oxadiazole-2-carboxylate?
The InChIKey is KANNBFXQCRFPRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O3S/c1-3-11-6(10)5-8-9-7(12-5)13-4-2/h3-4H2,1-2H3.
What are the key properties of ethyl 5-ethylsulfanyl-1,3,4-oxadiazole-2-carboxylate?
ethyl 5-ethylsulfanyl-1,3,4-oxadiazole-2-carboxylate has a molecular weight of 202.23 g/mol, XLogP of 1.36, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-ethylsulfanyl-1,3,4-oxadiazole-2-carboxylate is sourced from PubChem (CID 21486849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).