5-(5-fluoro-1H-indol-6-yl)-1,2-oxazole-3-carboxylic acid

C12H7FN2O3 — CID 117367183

IUPAC5-(5-fluoro-1H-indol-6-yl)-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)c1cc(-c2cc3[nH]ccc3cc2F)on1
InChIInChI=1S/C12H7FN2O3/c13-8-3-6-1-2-14-9(6)4-7(8)11-5-10(12(16)17)15-18-11/h1-5,14H,(H,16,17)
InChIKeyVJCBWGPHXVHZAH-UHFFFAOYSA-N
MW246.20 g/mol
LogP2.66
Rot. Bonds2

About 5-(5-fluoro-1H-indol-6-yl)-1,2-oxazole-3-carboxylic acid

5-(5-fluoro-1H-indol-6-yl)-1,2-oxazole-3-carboxylic acid (PubChem CID 117367183) has the molecular formula C12H7FN2O3 and a molecular weight of 246.20 g/mol. Its IUPAC name is 5-(5-fluoro-1H-indol-6-yl)-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(5-fluoro-1H-indol-6-yl)-1,2-oxazole-3-carboxylic acid
PubChem CID117367183
Molecular FormulaC12H7FN2O3
Molecular Weight246.20 g/mol
Exact Mass246.04
IUPAC Name5-(5-fluoro-1H-indol-6-yl)-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)c1cc(-c2cc3[nH]ccc3cc2F)on1
InChIInChI=1S/C12H7FN2O3/c13-8-3-6-1-2-14-9(6)4-7(8)11-5-10(12(16)17)15-18-11/h1-5,14H,(H,16,17)
InChIKeyVJCBWGPHXVHZAH-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

Analyze 5-(5-fluoro-1H-indol-6-yl)-1,2-oxazole-3-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

Related Compounds

5-(5-fluoro-1-methylindol-6-yl)-1,2-oxazole-3-carboxylic acid
CID 117404267
5-(2,3,4-trifluorophenyl)-1,2-oxazole-3-carboxylic acid
CID 83810758
5-(5-ethyl-2,4-difluorophenyl)-1,2-oxazole-3-carboxylic acid
CID 117385140
5-(3-fluoro-4-pyridinyl)-1,2-oxazole-3-carboxylic acid
CID 131555755
5-(3-fluoro-2-methylphenyl)-1,2-oxazole-3-carboxylic acid
CID 117315177
5-(5-bromo-4-fluoro-2-hydroxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 136966435
5-(5-fluoro-2,3-dihydro-1,4-benzodioxin-8-yl)-1,2-oxazole-3-carboxylic acid
CID 117416541
[3-(5-fluoro-1H-indol-6-yl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117335867
5-(2,3-difluoro-5-methylphenyl)-1,2-oxazole-3-carboxylic acid
CID 117349990
5-(5-hydroxy-1H-indol-3-yl)-1,2-oxazole-3-carboxylic acid
CID 136985897
5-[6-(trifluoromethyl)-1H-indol-3-yl]-1,2-oxazole-3-carboxylic acid
CID 136985855
5-(5-methoxy-1H-indol-4-yl)-1,2-oxazole-3-carboxylic acid
CID 117398764

Frequently Asked Questions

What is the IUPAC name of 5-(5-fluoro-1H-indol-6-yl)-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-(5-fluoro-1H-indol-6-yl)-1,2-oxazole-3-carboxylic acid (CID 117367183) is 5-(5-fluoro-1H-indol-6-yl)-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-(5-fluoro-1H-indol-6-yl)-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-(5-fluoro-1H-indol-6-yl)-1,2-oxazole-3-carboxylic acid is O=C(O)c1cc(-c2cc3[nH]ccc3cc2F)on1.
What is the InChIKey of 5-(5-fluoro-1H-indol-6-yl)-1,2-oxazole-3-carboxylic acid?
The InChIKey is VJCBWGPHXVHZAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7FN2O3/c13-8-3-6-1-2-14-9(6)4-7(8)11-5-10(12(16)17)15-18-11/h1-5,14H,(H,16,17).
What are the key properties of 5-(5-fluoro-1H-indol-6-yl)-1,2-oxazole-3-carboxylic acid?
5-(5-fluoro-1H-indol-6-yl)-1,2-oxazole-3-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 5-(5-fluoro-1H-indol-6-yl)-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 117367183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).