2-fluoro-2-(4-methyl-1,3-oxazol-2-yl)acetic acid

C6H6FNO3 — CID 115012423

IUPAC2-fluoro-2-(4-methyl-1,3-oxazol-2-yl)acetic acid
SMILESCc1coc(C(F)C(=O)O)n1
InChIInChI=1S/C6H6FNO3/c1-3-2-11-5(8-3)4(7)6(9)10/h2,4H,1H3,(H,9,10)
InChIKeyVVZAKMBHZPJSPJ-UHFFFAOYSA-N
MW159.12 g/mol
LogP1.08
Rot. Bonds2

About 2-fluoro-2-(4-methyl-1,3-oxazol-2-yl)acetic acid

2-fluoro-2-(4-methyl-1,3-oxazol-2-yl)acetic acid (PubChem CID 115012423) has the molecular formula C6H6FNO3 and a molecular weight of 159.12 g/mol. Its IUPAC name is 2-fluoro-2-(4-methyl-1,3-oxazol-2-yl)acetic acid.

Molecular Properties

Compound Name2-fluoro-2-(4-methyl-1,3-oxazol-2-yl)acetic acid
PubChem CID115012423
Molecular FormulaC6H6FNO3
Molecular Weight159.12 g/mol
Exact Mass159.03
IUPAC Name2-fluoro-2-(4-methyl-1,3-oxazol-2-yl)acetic acid
SMILESCc1coc(C(F)C(=O)O)n1
InChIInChI=1S/C6H6FNO3/c1-3-2-11-5(8-3)4(7)6(9)10/h2,4H,1H3,(H,9,10)
InChIKeyVVZAKMBHZPJSPJ-UHFFFAOYSA-N
XLogP1.08
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.12
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-fluoro-2-(4-methyl-1,3-oxazol-2-yl)acetic 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-fluoro-2-(4-methyl-1,3-oxazol-2-yl)acetic acid?
The IUPAC name of 2-fluoro-2-(4-methyl-1,3-oxazol-2-yl)acetic acid (CID 115012423) is 2-fluoro-2-(4-methyl-1,3-oxazol-2-yl)acetic acid.
What is the SMILES notation for 2-fluoro-2-(4-methyl-1,3-oxazol-2-yl)acetic acid?
The canonical SMILES for 2-fluoro-2-(4-methyl-1,3-oxazol-2-yl)acetic acid is Cc1coc(C(F)C(=O)O)n1.
What is the InChIKey of 2-fluoro-2-(4-methyl-1,3-oxazol-2-yl)acetic acid?
The InChIKey is VVZAKMBHZPJSPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6FNO3/c1-3-2-11-5(8-3)4(7)6(9)10/h2,4H,1H3,(H,9,10).
What are the key properties of 2-fluoro-2-(4-methyl-1,3-oxazol-2-yl)acetic acid?
2-fluoro-2-(4-methyl-1,3-oxazol-2-yl)acetic acid has a molecular weight of 159.12 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-(4-methyl-1,3-oxazol-2-yl)acetic acid is sourced from PubChem (CID 115012423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).