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

C5H4FNO3 — CID 70038557

IUPAC4-(fluoromethyl)-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)c1nocc1CF
InChIInChI=1S/C5H4FNO3/c6-1-3-2-10-7-4(3)5(8)9/h2H,1H2,(H,8,9)
InChIKeyQYVZVGQKQAQROX-UHFFFAOYSA-N
MW145.09 g/mol
LogP0.84
Rot. Bonds2

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

4-(fluoromethyl)-1,2-oxazole-3-carboxylic acid (PubChem CID 70038557) has the molecular formula C5H4FNO3 and a molecular weight of 145.09 g/mol. Its IUPAC name is 4-(fluoromethyl)-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name4-(fluoromethyl)-1,2-oxazole-3-carboxylic acid
PubChem CID70038557
Molecular FormulaC5H4FNO3
Molecular Weight145.09 g/mol
Exact Mass145.02
IUPAC Name4-(fluoromethyl)-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)c1nocc1CF
InChIInChI=1S/C5H4FNO3/c6-1-3-2-10-7-4(3)5(8)9/h2H,1H2,(H,8,9)
InChIKeyQYVZVGQKQAQROX-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

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Frequently Asked Questions

What is the IUPAC name of 4-(fluoromethyl)-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 4-(fluoromethyl)-1,2-oxazole-3-carboxylic acid (CID 70038557) is 4-(fluoromethyl)-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 4-(fluoromethyl)-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 4-(fluoromethyl)-1,2-oxazole-3-carboxylic acid is O=C(O)c1nocc1CF.
What is the InChIKey of 4-(fluoromethyl)-1,2-oxazole-3-carboxylic acid?
The InChIKey is QYVZVGQKQAQROX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4FNO3/c6-1-3-2-10-7-4(3)5(8)9/h2H,1H2,(H,8,9).
What are the key properties of 4-(fluoromethyl)-1,2-oxazole-3-carboxylic acid?
4-(fluoromethyl)-1,2-oxazole-3-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 4-(fluoromethyl)-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 70038557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).