ethyl 5-(1-ethylsulfanylcyclopropyl)-1,3,4-oxadiazole-2-carboxylate

C10H14N2O3S — CID 167081601

IUPACethyl 5-(1-ethylsulfanylcyclopropyl)-1,3,4-oxadiazole-2-carboxylate
SMILESCCOC(=O)c1nnc(C2(SCC)CC2)o1
InChIInChI=1S/C10H14N2O3S/c1-3-14-8(13)7-11-12-9(15-7)10(5-6-10)16-4-2/h3-6H2,1-2H3
InChIKeyKJRUJDRKNZAXJZ-UHFFFAOYSA-N
MW242.30 g/mol
LogP1.99
Rot. Bonds5

About ethyl 5-(1-ethylsulfanylcyclopropyl)-1,3,4-oxadiazole-2-carboxylate

ethyl 5-(1-ethylsulfanylcyclopropyl)-1,3,4-oxadiazole-2-carboxylate (PubChem CID 167081601) has the molecular formula C10H14N2O3S and a molecular weight of 242.30 g/mol. Its IUPAC name is ethyl 5-(1-ethylsulfanylcyclopropyl)-1,3,4-oxadiazole-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-(1-ethylsulfanylcyclopropyl)-1,3,4-oxadiazole-2-carboxylate
PubChem CID167081601
Molecular FormulaC10H14N2O3S
Molecular Weight242.30 g/mol
Exact Mass242.07
IUPAC Nameethyl 5-(1-ethylsulfanylcyclopropyl)-1,3,4-oxadiazole-2-carboxylate
SMILESCCOC(=O)c1nnc(C2(SCC)CC2)o1
InChIInChI=1S/C10H14N2O3S/c1-3-14-8(13)7-11-12-9(15-7)10(5-6-10)16-4-2/h3-6H2,1-2H3
InChIKeyKJRUJDRKNZAXJZ-UHFFFAOYSA-N
XLogP1.99
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-(1-ethylsulfanylcyclopropyl)-1,3,4-oxadiazole-2-carboxylate?
The IUPAC name of ethyl 5-(1-ethylsulfanylcyclopropyl)-1,3,4-oxadiazole-2-carboxylate (CID 167081601) is ethyl 5-(1-ethylsulfanylcyclopropyl)-1,3,4-oxadiazole-2-carboxylate.
What is the SMILES notation for ethyl 5-(1-ethylsulfanylcyclopropyl)-1,3,4-oxadiazole-2-carboxylate?
The canonical SMILES for ethyl 5-(1-ethylsulfanylcyclopropyl)-1,3,4-oxadiazole-2-carboxylate is CCOC(=O)c1nnc(C2(SCC)CC2)o1.
What is the InChIKey of ethyl 5-(1-ethylsulfanylcyclopropyl)-1,3,4-oxadiazole-2-carboxylate?
The InChIKey is KJRUJDRKNZAXJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3S/c1-3-14-8(13)7-11-12-9(15-7)10(5-6-10)16-4-2/h3-6H2,1-2H3.
What are the key properties of ethyl 5-(1-ethylsulfanylcyclopropyl)-1,3,4-oxadiazole-2-carboxylate?
ethyl 5-(1-ethylsulfanylcyclopropyl)-1,3,4-oxadiazole-2-carboxylate has a molecular weight of 242.30 g/mol, XLogP of 1.99, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(1-ethylsulfanylcyclopropyl)-1,3,4-oxadiazole-2-carboxylate is sourced from PubChem (CID 167081601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).