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

C13H10N2O3 — CID 136985961

IUPAC3-(6-methyl-1H-indol-3-yl)-1,2-oxazole-5-carboxylic acid
SMILESCc1ccc2c(-c3cc(C(=O)O)on3)c[nH]c2c1
InChIInChI=1S/C13H10N2O3/c1-7-2-3-8-9(6-14-10(8)4-7)11-5-12(13(16)17)18-15-11/h2-6,14H,1H3,(H,16,17)
InChIKeyRFBVWVVMKPCVPP-UHFFFAOYSA-N
MW242.23 g/mol
LogP2.83
Rot. Bonds2

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

3-(6-methyl-1H-indol-3-yl)-1,2-oxazole-5-carboxylic acid (PubChem CID 136985961) has the molecular formula C13H10N2O3 and a molecular weight of 242.23 g/mol. Its IUPAC name is 3-(6-methyl-1H-indol-3-yl)-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(6-methyl-1H-indol-3-yl)-1,2-oxazole-5-carboxylic acid
PubChem CID136985961
Molecular FormulaC13H10N2O3
Molecular Weight242.23 g/mol
Exact Mass242.07
IUPAC Name3-(6-methyl-1H-indol-3-yl)-1,2-oxazole-5-carboxylic acid
SMILESCc1ccc2c(-c3cc(C(=O)O)on3)c[nH]c2c1
InChIInChI=1S/C13H10N2O3/c1-7-2-3-8-9(6-14-10(8)4-7)11-5-12(13(16)17)18-15-11/h2-6,14H,1H3,(H,16,17)
InChIKeyRFBVWVVMKPCVPP-UHFFFAOYSA-N
XLogP2.83
TPSA79.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(6-methyl-1H-indol-3-yl)-1,2-oxazole-5-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-(6-methyl-1H-indol-3-yl)-1,2-oxazole-4-carboxylic acid
CID 136986206
3-(3-methyl-1H-indol-5-yl)-1,2-oxazole-5-carboxylic acid
CID 82373607
3-(4-fluoro-1H-indol-3-yl)-1,2-oxazole-5-carboxylic acid
CID 136986002
3-(4-bromo-1H-indol-3-yl)-1,2-oxazole-5-carboxylic acid
CID 136986004
3-(3-chloro-1H-indol-4-yl)-1,2-oxazole-5-carboxylic acid
CID 117411341
5-(6-methyl-1H-indol-3-yl)-1H-pyrazole-4-carboxylic acid
CID 136986210
1-methyl-5-(6-methyl-1H-indol-3-yl)pyrazole-3-carboxylic acid
CID 136985862
3-(3-bromo-1H-indol-5-yl)-1,2-oxazole-5-carboxylic acid
CID 117492038
3-[4-(trifluoromethyl)-1H-indol-3-yl]-1,2-oxazole-5-carboxylic acid
CID 136985992
3-(3-methyl-1,2-benzoxazol-6-yl)-1,2-oxazole-5-carboxylic acid
CID 117361899
3-(3-methyl-4-pyridinyl)-1,2-oxazole-5-carboxylic acid
CID 127020386
3-(3-bromo-2,5-dimethylphenyl)-1,2-oxazole-5-carboxylic acid
CID 117476927

Frequently Asked Questions

What is the IUPAC name of 3-(6-methyl-1H-indol-3-yl)-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 3-(6-methyl-1H-indol-3-yl)-1,2-oxazole-5-carboxylic acid (CID 136985961) is 3-(6-methyl-1H-indol-3-yl)-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 3-(6-methyl-1H-indol-3-yl)-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 3-(6-methyl-1H-indol-3-yl)-1,2-oxazole-5-carboxylic acid is Cc1ccc2c(-c3cc(C(=O)O)on3)c[nH]c2c1.
What is the InChIKey of 3-(6-methyl-1H-indol-3-yl)-1,2-oxazole-5-carboxylic acid?
The InChIKey is RFBVWVVMKPCVPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O3/c1-7-2-3-8-9(6-14-10(8)4-7)11-5-12(13(16)17)18-15-11/h2-6,14H,1H3,(H,16,17).
What are the key properties of 3-(6-methyl-1H-indol-3-yl)-1,2-oxazole-5-carboxylic acid?
3-(6-methyl-1H-indol-3-yl)-1,2-oxazole-5-carboxylic acid has a molecular weight of 242.23 g/mol, XLogP of 2.83, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methyl-1H-indol-3-yl)-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 136985961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).