4-ethyl-1,2,5-oxadiazole-3-carboxylic acid

C5H6N2O3 — CID 83913984

IUPAC4-ethyl-1,2,5-oxadiazole-3-carboxylic acid
SMILESCCc1nonc1C(=O)O
InChIInChI=1S/C5H6N2O3/c1-2-3-4(5(8)9)7-10-6-3/h2H2,1H3,(H,8,9)
InChIKeyWRSLBEBHVLDFNB-UHFFFAOYSA-N
MW142.11 g/mol
LogP0.33
Rot. Bonds2

About 4-ethyl-1,2,5-oxadiazole-3-carboxylic acid

4-ethyl-1,2,5-oxadiazole-3-carboxylic acid (PubChem CID 83913984) has the molecular formula C5H6N2O3 and a molecular weight of 142.11 g/mol. Its IUPAC name is 4-ethyl-1,2,5-oxadiazole-3-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-1,2,5-oxadiazole-3-carboxylic acid
PubChem CID83913984
Molecular FormulaC5H6N2O3
Molecular Weight142.11 g/mol
Exact Mass142.04
IUPAC Name4-ethyl-1,2,5-oxadiazole-3-carboxylic acid
SMILESCCc1nonc1C(=O)O
InChIInChI=1S/C5H6N2O3/c1-2-3-4(5(8)9)7-10-6-3/h2H2,1H3,(H,8,9)
InChIKeyWRSLBEBHVLDFNB-UHFFFAOYSA-N
XLogP0.33
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.11
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1,2,5-oxadiazole-3-carboxylic acid?
The IUPAC name of 4-ethyl-1,2,5-oxadiazole-3-carboxylic acid (CID 83913984) is 4-ethyl-1,2,5-oxadiazole-3-carboxylic acid.
What is the SMILES notation for 4-ethyl-1,2,5-oxadiazole-3-carboxylic acid?
The canonical SMILES for 4-ethyl-1,2,5-oxadiazole-3-carboxylic acid is CCc1nonc1C(=O)O.
What is the InChIKey of 4-ethyl-1,2,5-oxadiazole-3-carboxylic acid?
The InChIKey is WRSLBEBHVLDFNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O3/c1-2-3-4(5(8)9)7-10-6-3/h2H2,1H3,(H,8,9).
What are the key properties of 4-ethyl-1,2,5-oxadiazole-3-carboxylic acid?
4-ethyl-1,2,5-oxadiazole-3-carboxylic acid has a molecular weight of 142.11 g/mol, XLogP of 0.33, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1,2,5-oxadiazole-3-carboxylic acid is sourced from PubChem (CID 83913984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).