3-(4-fluoro-1H-indol-3-yl)-1,2-oxazole-5-carboxylic acid

C12H7FN2O3 — CID 136986002

IUPAC3-(4-fluoro-1H-indol-3-yl)-1,2-oxazole-5-carboxylic acid
SMILESO=C(O)c1cc(-c2c[nH]c3cccc(F)c23)no1
InChIInChI=1S/C12H7FN2O3/c13-7-2-1-3-8-11(7)6(5-14-8)9-4-10(12(16)17)18-15-9/h1-5,14H,(H,16,17)
InChIKeyZMUVKJPHPVTETA-UHFFFAOYSA-N
MW246.20 g/mol
LogP2.66
Rot. Bonds2

About 3-(4-fluoro-1H-indol-3-yl)-1,2-oxazole-5-carboxylic acid

3-(4-fluoro-1H-indol-3-yl)-1,2-oxazole-5-carboxylic acid (PubChem CID 136986002) has the molecular formula C12H7FN2O3 and a molecular weight of 246.20 g/mol. Its IUPAC name is 3-(4-fluoro-1H-indol-3-yl)-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(4-fluoro-1H-indol-3-yl)-1,2-oxazole-5-carboxylic acid
PubChem CID136986002
Molecular FormulaC12H7FN2O3
Molecular Weight246.20 g/mol
Exact Mass246.04
IUPAC Name3-(4-fluoro-1H-indol-3-yl)-1,2-oxazole-5-carboxylic acid
SMILESO=C(O)c1cc(-c2c[nH]c3cccc(F)c23)no1
InChIInChI=1S/C12H7FN2O3/c13-7-2-1-3-8-11(7)6(5-14-8)9-4-10(12(16)17)18-15-9/h1-5,14H,(H,16,17)
InChIKeyZMUVKJPHPVTETA-UHFFFAOYSA-N
XLogP2.66
TPSA79.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.20
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoro-1H-indol-3-yl)-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 3-(4-fluoro-1H-indol-3-yl)-1,2-oxazole-5-carboxylic acid (CID 136986002) is 3-(4-fluoro-1H-indol-3-yl)-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 3-(4-fluoro-1H-indol-3-yl)-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 3-(4-fluoro-1H-indol-3-yl)-1,2-oxazole-5-carboxylic acid is O=C(O)c1cc(-c2c[nH]c3cccc(F)c23)no1.
What is the InChIKey of 3-(4-fluoro-1H-indol-3-yl)-1,2-oxazole-5-carboxylic acid?
The InChIKey is ZMUVKJPHPVTETA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7FN2O3/c13-7-2-1-3-8-11(7)6(5-14-8)9-4-10(12(16)17)18-15-9/h1-5,14H,(H,16,17).
What are the key properties of 3-(4-fluoro-1H-indol-3-yl)-1,2-oxazole-5-carboxylic acid?
3-(4-fluoro-1H-indol-3-yl)-1,2-oxazole-5-carboxylic acid has a molecular weight of 246.20 g/mol, XLogP of 2.66, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoro-1H-indol-3-yl)-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 136986002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).