2-(2-fluoroethyl)-1,3-oxazole-4-carboxylic acid

C6H6FNO3 — CID 90389429

IUPAC2-(2-fluoroethyl)-1,3-oxazole-4-carboxylic acid
SMILESO=C(O)c1coc(CCF)n1
InChIInChI=1S/C6H6FNO3/c7-2-1-5-8-4(3-11-5)6(9)10/h3H,1-2H2,(H,9,10)
InChIKeyNCODLMSLIQPHGS-UHFFFAOYSA-N
MW159.12 g/mol
LogP0.88
Rot. Bonds3

About 2-(2-fluoroethyl)-1,3-oxazole-4-carboxylic acid

2-(2-fluoroethyl)-1,3-oxazole-4-carboxylic acid (PubChem CID 90389429) has the molecular formula C6H6FNO3 and a molecular weight of 159.12 g/mol. Its IUPAC name is 2-(2-fluoroethyl)-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(2-fluoroethyl)-1,3-oxazole-4-carboxylic acid
PubChem CID90389429
Molecular FormulaC6H6FNO3
Molecular Weight159.12 g/mol
Exact Mass159.03
IUPAC Name2-(2-fluoroethyl)-1,3-oxazole-4-carboxylic acid
SMILESO=C(O)c1coc(CCF)n1
InChIInChI=1S/C6H6FNO3/c7-2-1-5-8-4(3-11-5)6(9)10/h3H,1-2H2,(H,9,10)
InChIKeyNCODLMSLIQPHGS-UHFFFAOYSA-N
XLogP0.88
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.12
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoroethyl)-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 2-(2-fluoroethyl)-1,3-oxazole-4-carboxylic acid (CID 90389429) is 2-(2-fluoroethyl)-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 2-(2-fluoroethyl)-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 2-(2-fluoroethyl)-1,3-oxazole-4-carboxylic acid is O=C(O)c1coc(CCF)n1.
What is the InChIKey of 2-(2-fluoroethyl)-1,3-oxazole-4-carboxylic acid?
The InChIKey is NCODLMSLIQPHGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6FNO3/c7-2-1-5-8-4(3-11-5)6(9)10/h3H,1-2H2,(H,9,10).
What are the key properties of 2-(2-fluoroethyl)-1,3-oxazole-4-carboxylic acid?
2-(2-fluoroethyl)-1,3-oxazole-4-carboxylic acid has a molecular weight of 159.12 g/mol, XLogP of 0.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoroethyl)-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 90389429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).