2-(5-fluoro-2-methylphenyl)-1,3-oxazole-4-carboxylic acid

C11H8FNO3 — CID 63048806

IUPAC2-(5-fluoro-2-methylphenyl)-1,3-oxazole-4-carboxylic acid
SMILESCc1ccc(F)cc1-c1nc(C(=O)O)co1
InChIInChI=1S/C11H8FNO3/c1-6-2-3-7(12)4-8(6)10-13-9(5-16-10)11(14)15/h2-5H,1H3,(H,14,15)
InChIKeyXQJKHLYTKMTUGT-UHFFFAOYSA-N
MW221.19 g/mol
LogP2.49
Rot. Bonds2

About 2-(5-fluoro-2-methylphenyl)-1,3-oxazole-4-carboxylic acid

2-(5-fluoro-2-methylphenyl)-1,3-oxazole-4-carboxylic acid (PubChem CID 63048806) has the molecular formula C11H8FNO3 and a molecular weight of 221.19 g/mol. Its IUPAC name is 2-(5-fluoro-2-methylphenyl)-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(5-fluoro-2-methylphenyl)-1,3-oxazole-4-carboxylic acid
PubChem CID63048806
Molecular FormulaC11H8FNO3
Molecular Weight221.19 g/mol
Exact Mass221.05
IUPAC Name2-(5-fluoro-2-methylphenyl)-1,3-oxazole-4-carboxylic acid
SMILESCc1ccc(F)cc1-c1nc(C(=O)O)co1
InChIInChI=1S/C11H8FNO3/c1-6-2-3-7(12)4-8(6)10-13-9(5-16-10)11(14)15/h2-5H,1H3,(H,14,15)
InChIKeyXQJKHLYTKMTUGT-UHFFFAOYSA-N
XLogP2.49
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.19
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-methylphenyl)-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 2-(5-fluoro-2-methylphenyl)-1,3-oxazole-4-carboxylic acid (CID 63048806) is 2-(5-fluoro-2-methylphenyl)-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 2-(5-fluoro-2-methylphenyl)-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 2-(5-fluoro-2-methylphenyl)-1,3-oxazole-4-carboxylic acid is Cc1ccc(F)cc1-c1nc(C(=O)O)co1.
What is the InChIKey of 2-(5-fluoro-2-methylphenyl)-1,3-oxazole-4-carboxylic acid?
The InChIKey is XQJKHLYTKMTUGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FNO3/c1-6-2-3-7(12)4-8(6)10-13-9(5-16-10)11(14)15/h2-5H,1H3,(H,14,15).
What are the key properties of 2-(5-fluoro-2-methylphenyl)-1,3-oxazole-4-carboxylic acid?
2-(5-fluoro-2-methylphenyl)-1,3-oxazole-4-carboxylic acid has a molecular weight of 221.19 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-methylphenyl)-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 63048806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).