5-(2-ethoxyethyl)-1,2,4-oxadiazole-3-carboxylic acid

C7H10N2O4 — CID 63382755

IUPAC5-(2-ethoxyethyl)-1,2,4-oxadiazole-3-carboxylic acid
SMILESCCOCCc1nc(C(=O)O)no1
InChIInChI=1S/C7H10N2O4/c1-2-12-4-3-5-8-6(7(10)11)9-13-5/h2-4H2,1H3,(H,10,11)
InChIKeyYYDSNWHVCKRTKV-UHFFFAOYSA-N
MW186.17 g/mol
LogP0.35
Rot. Bonds5

About 5-(2-ethoxyethyl)-1,2,4-oxadiazole-3-carboxylic acid

5-(2-ethoxyethyl)-1,2,4-oxadiazole-3-carboxylic acid (PubChem CID 63382755) has the molecular formula C7H10N2O4 and a molecular weight of 186.17 g/mol. Its IUPAC name is 5-(2-ethoxyethyl)-1,2,4-oxadiazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(2-ethoxyethyl)-1,2,4-oxadiazole-3-carboxylic acid
PubChem CID63382755
Molecular FormulaC7H10N2O4
Molecular Weight186.17 g/mol
Exact Mass186.06
IUPAC Name5-(2-ethoxyethyl)-1,2,4-oxadiazole-3-carboxylic acid
SMILESCCOCCc1nc(C(=O)O)no1
InChIInChI=1S/C7H10N2O4/c1-2-12-4-3-5-8-6(7(10)11)9-13-5/h2-4H2,1H3,(H,10,11)
InChIKeyYYDSNWHVCKRTKV-UHFFFAOYSA-N
XLogP0.35
TPSA85.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.17
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazole-3-carboxylic acid
CID 103211864
5-heptyl-1,2,4-oxadiazole-3-carboxylic acid
CID 63448668
[5-(2-ethoxyethyl)-1,2,4-oxadiazol-3-yl]methanol
CID 102660353
ethyl 5-(2-methoxyethyl)-1,2,4-oxadiazole-3-carboxylate
CID 63379498
5-(4-aminopentyl)-1,2,4-oxadiazole-3-carboxylic acid
CID 112631792
5-(methylaminomethyl)-1,2,4-oxadiazole-3-carboxylic acid
CID 55252728
5-[2-(propan-2-ylamino)ethyl]-1,2,4-oxadiazole-3-carboxylic acid
CID 112631921
2-[[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-ethylbutanoic acid
CID 106814863
5-(2-phenylethyl)-1,2,4-oxadiazole-3-carboxylic acid
CID 63383194
5-[(2-methylpropan-2-yl)oxymethyl]-1,2,4-oxadiazole-3-carboxylic acid
CID 112603813
ethyl 5-(2-phenoxyethyl)-1,2,4-oxadiazole-3-carboxylate
CID 63379365
2-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 106814794

Frequently Asked Questions

What is the IUPAC name of 5-(2-ethoxyethyl)-1,2,4-oxadiazole-3-carboxylic acid?
The IUPAC name of 5-(2-ethoxyethyl)-1,2,4-oxadiazole-3-carboxylic acid (CID 63382755) is 5-(2-ethoxyethyl)-1,2,4-oxadiazole-3-carboxylic acid.
What is the SMILES notation for 5-(2-ethoxyethyl)-1,2,4-oxadiazole-3-carboxylic acid?
The canonical SMILES for 5-(2-ethoxyethyl)-1,2,4-oxadiazole-3-carboxylic acid is CCOCCc1nc(C(=O)O)no1.
What is the InChIKey of 5-(2-ethoxyethyl)-1,2,4-oxadiazole-3-carboxylic acid?
The InChIKey is YYDSNWHVCKRTKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O4/c1-2-12-4-3-5-8-6(7(10)11)9-13-5/h2-4H2,1H3,(H,10,11).
What are the key properties of 5-(2-ethoxyethyl)-1,2,4-oxadiazole-3-carboxylic acid?
5-(2-ethoxyethyl)-1,2,4-oxadiazole-3-carboxylic acid has a molecular weight of 186.17 g/mol, XLogP of 0.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethoxyethyl)-1,2,4-oxadiazole-3-carboxylic acid is sourced from PubChem (CID 63382755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).