5-ethyl-4,5-dihydro-1,2-oxazole-3-carboxylic acid

C6H9NO3 — CID 105428413

IUPAC5-ethyl-4,5-dihydro-1,2-oxazole-3-carboxylic acid
SMILESCCC1CC(C(=O)O)=NO1
InChIInChI=1S/C6H9NO3/c1-2-4-3-5(6(8)9)7-10-4/h4H,2-3H2,1H3,(H,8,9)
InChIKeyHEEQOHBICUZLON-UHFFFAOYSA-N
MW143.14 g/mol
LogP0.63
Rot. Bonds2

About 5-ethyl-4,5-dihydro-1,2-oxazole-3-carboxylic acid

5-ethyl-4,5-dihydro-1,2-oxazole-3-carboxylic acid (PubChem CID 105428413) has the molecular formula C6H9NO3 and a molecular weight of 143.14 g/mol. Its IUPAC name is 5-ethyl-4,5-dihydro-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-ethyl-4,5-dihydro-1,2-oxazole-3-carboxylic acid
PubChem CID105428413
Molecular FormulaC6H9NO3
Molecular Weight143.14 g/mol
Exact Mass143.06
IUPAC Name5-ethyl-4,5-dihydro-1,2-oxazole-3-carboxylic acid
SMILESCCC1CC(C(=O)O)=NO1
InChIInChI=1S/C6H9NO3/c1-2-4-3-5(6(8)9)7-10-4/h4H,2-3H2,1H3,(H,8,9)
InChIKeyHEEQOHBICUZLON-UHFFFAOYSA-N
XLogP0.63
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.14
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4,5-dihydro-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-ethyl-4,5-dihydro-1,2-oxazole-3-carboxylic acid (CID 105428413) is 5-ethyl-4,5-dihydro-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-ethyl-4,5-dihydro-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-ethyl-4,5-dihydro-1,2-oxazole-3-carboxylic acid is CCC1CC(C(=O)O)=NO1.
What is the InChIKey of 5-ethyl-4,5-dihydro-1,2-oxazole-3-carboxylic acid?
The InChIKey is HEEQOHBICUZLON-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO3/c1-2-4-3-5(6(8)9)7-10-4/h4H,2-3H2,1H3,(H,8,9).
What are the key properties of 5-ethyl-4,5-dihydro-1,2-oxazole-3-carboxylic acid?
5-ethyl-4,5-dihydro-1,2-oxazole-3-carboxylic acid has a molecular weight of 143.14 g/mol, XLogP of 0.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4,5-dihydro-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 105428413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).