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

C5H6N2O3 — CID 54358788

IUPACethyl 1,3,4-oxadiazole-2-carboxylate
SMILESCCOC(=O)c1nnco1
InChIInChI=1S/C5H6N2O3/c1-2-9-5(8)4-7-6-3-10-4/h3H,2H2,1H3
InChIKeyUKZUBHIKKPLAEE-UHFFFAOYSA-N
MW142.11 g/mol
LogP0.25
Rot. Bonds2

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

ethyl 1,3,4-oxadiazole-2-carboxylate (PubChem CID 54358788) has the molecular formula C5H6N2O3 and a molecular weight of 142.11 g/mol. Its IUPAC name is ethyl 1,3,4-oxadiazole-2-carboxylate.

Molecular Properties

Compound Nameethyl 1,3,4-oxadiazole-2-carboxylate
PubChem CID54358788
Molecular FormulaC5H6N2O3
Molecular Weight142.11 g/mol
Exact Mass142.04
IUPAC Nameethyl 1,3,4-oxadiazole-2-carboxylate
SMILESCCOC(=O)c1nnco1
InChIInChI=1S/C5H6N2O3/c1-2-9-5(8)4-7-6-3-10-4/h3H,2H2,1H3
InChIKeyUKZUBHIKKPLAEE-UHFFFAOYSA-N
XLogP0.25
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.11
LogP ≤ 50.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-(1,3,4-oxadiazol-2-yl)acetate
CID 55212087
ethyl 1,3-oxazole-2-carboxylate
CID 18465927
2-[2-ethoxy-1-(1,3,4-oxadiazol-2-yl)ethenyl]-1,3,4-oxadiazole
CID 17244518
ethyl 5-(2-methylsulfanylethyl)-1,3,4-oxadiazole-2-carboxylate
CID 112619358
ethyl 1,2,4-oxadiazole-5-carboxylate
CID 21498811
ethyl 5-(hydroxymethyl)-1,3,4-oxadiazole-2-carboxylate
CID 131969481
ethyl 5-(5-methyl-1,3-oxazol-2-yl)-1,3,4-oxadiazole-2-carboxylate
CID 177312454
ethyl 4-ethyl-1,2,4-triazole-3-carboxylate
CID 63356190
ethyl 4-[dimethoxy(methyl)silyl]benzoate
CID 102074408
ethyl 5-(4-ethylphenyl)-1,3,4-oxadiazole-2-carboxylate
CID 112685410
ethyl 5-(4-aminophenyl)-1,3,4-oxadiazole-2-carboxylate
CID 70211595
diethyl 5-methyl-1,3-oxazole-2,4-dicarboxylate
CID 10513471

Frequently Asked Questions

What is the IUPAC name of ethyl 1,3,4-oxadiazole-2-carboxylate?
The IUPAC name of ethyl 1,3,4-oxadiazole-2-carboxylate (CID 54358788) is ethyl 1,3,4-oxadiazole-2-carboxylate.
What is the SMILES notation for ethyl 1,3,4-oxadiazole-2-carboxylate?
The canonical SMILES for ethyl 1,3,4-oxadiazole-2-carboxylate is CCOC(=O)c1nnco1.
What is the InChIKey of ethyl 1,3,4-oxadiazole-2-carboxylate?
The InChIKey is UKZUBHIKKPLAEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O3/c1-2-9-5(8)4-7-6-3-10-4/h3H,2H2,1H3.
What are the key properties of ethyl 1,3,4-oxadiazole-2-carboxylate?
ethyl 1,3,4-oxadiazole-2-carboxylate has a molecular weight of 142.11 g/mol, XLogP of 0.25, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1,3,4-oxadiazole-2-carboxylate is sourced from PubChem (CID 54358788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).