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

C10H7FN2O3 — CID 22170164

IUPAC3-(3-fluoro-2-pyridinyl)-5-methyl-1,2-oxazole-4-carboxylic acid
SMILESCc1onc(-c2ncccc2F)c1C(=O)O
InChIInChI=1S/C10H7FN2O3/c1-5-7(10(14)15)9(13-16-5)8-6(11)3-2-4-12-8/h2-4H,1H3,(H,14,15)
InChIKeyIWPJYLDPSHXSGX-UHFFFAOYSA-N
MW222.18 g/mol
LogP1.88
Rot. Bonds2

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

3-(3-fluoro-2-pyridinyl)-5-methyl-1,2-oxazole-4-carboxylic acid (PubChem CID 22170164) has the molecular formula C10H7FN2O3 and a molecular weight of 222.18 g/mol. Its IUPAC name is 3-(3-fluoro-2-pyridinyl)-5-methyl-1,2-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name3-(3-fluoro-2-pyridinyl)-5-methyl-1,2-oxazole-4-carboxylic acid
PubChem CID22170164
Molecular FormulaC10H7FN2O3
Molecular Weight222.18 g/mol
Exact Mass222.04
IUPAC Name3-(3-fluoro-2-pyridinyl)-5-methyl-1,2-oxazole-4-carboxylic acid
SMILESCc1onc(-c2ncccc2F)c1C(=O)O
InChIInChI=1S/C10H7FN2O3/c1-5-7(10(14)15)9(13-16-5)8-6(11)3-2-4-12-8/h2-4H,1H3,(H,14,15)
InChIKeyIWPJYLDPSHXSGX-UHFFFAOYSA-N
XLogP1.88
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.18
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(3-fluoro-2-pyridinyl)-5-methyl-1,2-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 3-(3-fluoro-2-pyridinyl)-5-methyl-1,2-oxazole-4-carboxylic acid?
The IUPAC name of 3-(3-fluoro-2-pyridinyl)-5-methyl-1,2-oxazole-4-carboxylic acid (CID 22170164) is 3-(3-fluoro-2-pyridinyl)-5-methyl-1,2-oxazole-4-carboxylic acid.
What is the SMILES notation for 3-(3-fluoro-2-pyridinyl)-5-methyl-1,2-oxazole-4-carboxylic acid?
The canonical SMILES for 3-(3-fluoro-2-pyridinyl)-5-methyl-1,2-oxazole-4-carboxylic acid is Cc1onc(-c2ncccc2F)c1C(=O)O.
What is the InChIKey of 3-(3-fluoro-2-pyridinyl)-5-methyl-1,2-oxazole-4-carboxylic acid?
The InChIKey is IWPJYLDPSHXSGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FN2O3/c1-5-7(10(14)15)9(13-16-5)8-6(11)3-2-4-12-8/h2-4H,1H3,(H,14,15).
What are the key properties of 3-(3-fluoro-2-pyridinyl)-5-methyl-1,2-oxazole-4-carboxylic acid?
3-(3-fluoro-2-pyridinyl)-5-methyl-1,2-oxazole-4-carboxylic acid has a molecular weight of 222.18 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-2-pyridinyl)-5-methyl-1,2-oxazole-4-carboxylic acid is sourced from PubChem (CID 22170164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).