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

C5H4FNO3 — CID 57475884

IUPAC2-(fluoromethyl)-1,3-oxazole-4-carboxylic acid
SMILESO=C(O)c1coc(CF)n1
InChIInChI=1S/C5H4FNO3/c6-1-4-7-3(2-10-4)5(8)9/h2H,1H2,(H,8,9)
InChIKeyCKNXBVMLMZSEOM-UHFFFAOYSA-N
MW145.09 g/mol
LogP0.84
Rot. Bonds2

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

2-(fluoromethyl)-1,3-oxazole-4-carboxylic acid (PubChem CID 57475884) has the molecular formula C5H4FNO3 and a molecular weight of 145.09 g/mol. Its IUPAC name is 2-(fluoromethyl)-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(fluoromethyl)-1,3-oxazole-4-carboxylic acid
PubChem CID57475884
Molecular FormulaC5H4FNO3
Molecular Weight145.09 g/mol
Exact Mass145.02
IUPAC Name2-(fluoromethyl)-1,3-oxazole-4-carboxylic acid
SMILESO=C(O)c1coc(CF)n1
InChIInChI=1S/C5H4FNO3/c6-1-4-7-3(2-10-4)5(8)9/h2H,1H2,(H,8,9)
InChIKeyCKNXBVMLMZSEOM-UHFFFAOYSA-N
XLogP0.84
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.09
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(fluoromethyl)-1,3-oxazole-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(fluoromethyl)-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 2-(fluoromethyl)-1,3-oxazole-4-carboxylic acid (CID 57475884) is 2-(fluoromethyl)-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 2-(fluoromethyl)-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 2-(fluoromethyl)-1,3-oxazole-4-carboxylic acid is O=C(O)c1coc(CF)n1.
What is the InChIKey of 2-(fluoromethyl)-1,3-oxazole-4-carboxylic acid?
The InChIKey is CKNXBVMLMZSEOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4FNO3/c6-1-4-7-3(2-10-4)5(8)9/h2H,1H2,(H,8,9).
What are the key properties of 2-(fluoromethyl)-1,3-oxazole-4-carboxylic acid?
2-(fluoromethyl)-1,3-oxazole-4-carboxylic acid has a molecular weight of 145.09 g/mol, XLogP of 0.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(fluoromethyl)-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 57475884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).