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

C12H8N2O3 — CID 3335473

IUPAC5-(1H-indol-3-yl)-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)c1cc(-c2c[nH]c3ccccc23)on1
InChIInChI=1S/C12H8N2O3/c15-12(16)10-5-11(17-14-10)8-6-13-9-4-2-1-3-7(8)9/h1-6,13H,(H,15,16)
InChIKeyLTJHKDMGKKYAIF-UHFFFAOYSA-N
MW228.21 g/mol
LogP2.52
Rot. Bonds2

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

5-(1H-indol-3-yl)-1,2-oxazole-3-carboxylic acid (PubChem CID 3335473) has the molecular formula C12H8N2O3 and a molecular weight of 228.21 g/mol. Its IUPAC name is 5-(1H-indol-3-yl)-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(1H-indol-3-yl)-1,2-oxazole-3-carboxylic acid
PubChem CID3335473
Molecular FormulaC12H8N2O3
Molecular Weight228.21 g/mol
Exact Mass228.05
IUPAC Name5-(1H-indol-3-yl)-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)c1cc(-c2c[nH]c3ccccc23)on1
InChIInChI=1S/C12H8N2O3/c15-12(16)10-5-11(17-14-10)8-6-13-9-4-2-1-3-7(8)9/h1-6,13H,(H,15,16)
InChIKeyLTJHKDMGKKYAIF-UHFFFAOYSA-N
XLogP2.52
TPSA79.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.21
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-(1H-indol-3-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

Frequently Asked Questions

What is the IUPAC name of 5-(1H-indol-3-yl)-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-(1H-indol-3-yl)-1,2-oxazole-3-carboxylic acid (CID 3335473) is 5-(1H-indol-3-yl)-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-(1H-indol-3-yl)-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-(1H-indol-3-yl)-1,2-oxazole-3-carboxylic acid is O=C(O)c1cc(-c2c[nH]c3ccccc23)on1.
What is the InChIKey of 5-(1H-indol-3-yl)-1,2-oxazole-3-carboxylic acid?
The InChIKey is LTJHKDMGKKYAIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2O3/c15-12(16)10-5-11(17-14-10)8-6-13-9-4-2-1-3-7(8)9/h1-6,13H,(H,15,16).
What are the key properties of 5-(1H-indol-3-yl)-1,2-oxazole-3-carboxylic acid?
5-(1H-indol-3-yl)-1,2-oxazole-3-carboxylic acid has a molecular weight of 228.21 g/mol, XLogP of 2.52, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-indol-3-yl)-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 3335473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).