5-fluoro-2-methyl-1,3-oxazole-4-carboxylic acid

C5H4FNO3 — CID 68571540

IUPAC5-fluoro-2-methyl-1,3-oxazole-4-carboxylic acid
SMILESCc1nc(C(=O)O)c(F)o1
InChIInChI=1S/C5H4FNO3/c1-2-7-3(5(8)9)4(6)10-2/h1H3,(H,8,9)
InChIKeyDZOKDLOEKIYLJP-UHFFFAOYSA-N
MW145.09 g/mol
LogP0.82
Rot. Bonds1

About 5-fluoro-2-methyl-1,3-oxazole-4-carboxylic acid

5-fluoro-2-methyl-1,3-oxazole-4-carboxylic acid (PubChem CID 68571540) has the molecular formula C5H4FNO3 and a molecular weight of 145.09 g/mol. Its IUPAC name is 5-fluoro-2-methyl-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name5-fluoro-2-methyl-1,3-oxazole-4-carboxylic acid
PubChem CID68571540
Molecular FormulaC5H4FNO3
Molecular Weight145.09 g/mol
Exact Mass145.02
IUPAC Name5-fluoro-2-methyl-1,3-oxazole-4-carboxylic acid
SMILESCc1nc(C(=O)O)c(F)o1
InChIInChI=1S/C5H4FNO3/c1-2-7-3(5(8)9)4(6)10-2/h1H3,(H,8,9)
InChIKeyDZOKDLOEKIYLJP-UHFFFAOYSA-N
XLogP0.82
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.09
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methyl-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 5-fluoro-2-methyl-1,3-oxazole-4-carboxylic acid (CID 68571540) is 5-fluoro-2-methyl-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 5-fluoro-2-methyl-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 5-fluoro-2-methyl-1,3-oxazole-4-carboxylic acid is Cc1nc(C(=O)O)c(F)o1.
What is the InChIKey of 5-fluoro-2-methyl-1,3-oxazole-4-carboxylic acid?
The InChIKey is DZOKDLOEKIYLJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4FNO3/c1-2-7-3(5(8)9)4(6)10-2/h1H3,(H,8,9).
What are the key properties of 5-fluoro-2-methyl-1,3-oxazole-4-carboxylic acid?
5-fluoro-2-methyl-1,3-oxazole-4-carboxylic acid has a molecular weight of 145.09 g/mol, XLogP of 0.82, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-methyl-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 68571540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).