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

C6H7NO3 — CID 53421780

IUPAC4-ethyl-1,2-oxazole-3-carboxylic acid
SMILESCCc1conc1C(=O)O
InChIInChI=1S/C6H7NO3/c1-2-4-3-10-7-5(4)6(8)9/h3H,2H2,1H3,(H,8,9)
InChIKeyDTTDQSZZLOQVSQ-UHFFFAOYSA-N
MW141.13 g/mol
LogP0.94
Rot. Bonds2

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

4-ethyl-1,2-oxazole-3-carboxylic acid (PubChem CID 53421780) has the molecular formula C6H7NO3 and a molecular weight of 141.13 g/mol. Its IUPAC name is 4-ethyl-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-1,2-oxazole-3-carboxylic acid
PubChem CID53421780
Molecular FormulaC6H7NO3
Molecular Weight141.13 g/mol
Exact Mass141.04
IUPAC Name4-ethyl-1,2-oxazole-3-carboxylic acid
SMILESCCc1conc1C(=O)O
InChIInChI=1S/C6H7NO3/c1-2-4-3-10-7-5(4)6(8)9/h3H,2H2,1H3,(H,8,9)
InChIKeyDTTDQSZZLOQVSQ-UHFFFAOYSA-N
XLogP0.94
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.13
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 4-ethyl-1,2-oxazole-3-carboxylic acid (CID 53421780) is 4-ethyl-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 4-ethyl-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 4-ethyl-1,2-oxazole-3-carboxylic acid is CCc1conc1C(=O)O.
What is the InChIKey of 4-ethyl-1,2-oxazole-3-carboxylic acid?
The InChIKey is DTTDQSZZLOQVSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO3/c1-2-4-3-10-7-5(4)6(8)9/h3H,2H2,1H3,(H,8,9).
What are the key properties of 4-ethyl-1,2-oxazole-3-carboxylic acid?
4-ethyl-1,2-oxazole-3-carboxylic acid has a molecular weight of 141.13 g/mol, XLogP of 0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 53421780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).