5-(6-methyl-1H-indol-3-yl)-1,2-oxazole-4-carboxylic acid

C13H10N2O3 — CID 136986206

IUPAC5-(6-methyl-1H-indol-3-yl)-1,2-oxazole-4-carboxylic acid
SMILESCc1ccc2c(-c3oncc3C(=O)O)c[nH]c2c1
InChIInChI=1S/C13H10N2O3/c1-7-2-3-8-9(5-14-11(8)4-7)12-10(13(16)17)6-15-18-12/h2-6,14H,1H3,(H,16,17)
InChIKeyGYNIEKNOLXVWOT-UHFFFAOYSA-N
MW242.23 g/mol
LogP2.83
Rot. Bonds2

About 5-(6-methyl-1H-indol-3-yl)-1,2-oxazole-4-carboxylic acid

5-(6-methyl-1H-indol-3-yl)-1,2-oxazole-4-carboxylic acid (PubChem CID 136986206) has the molecular formula C13H10N2O3 and a molecular weight of 242.23 g/mol. Its IUPAC name is 5-(6-methyl-1H-indol-3-yl)-1,2-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(6-methyl-1H-indol-3-yl)-1,2-oxazole-4-carboxylic acid
PubChem CID136986206
Molecular FormulaC13H10N2O3
Molecular Weight242.23 g/mol
Exact Mass242.07
IUPAC Name5-(6-methyl-1H-indol-3-yl)-1,2-oxazole-4-carboxylic acid
SMILESCc1ccc2c(-c3oncc3C(=O)O)c[nH]c2c1
InChIInChI=1S/C13H10N2O3/c1-7-2-3-8-9(5-14-11(8)4-7)12-10(13(16)17)6-15-18-12/h2-6,14H,1H3,(H,16,17)
InChIKeyGYNIEKNOLXVWOT-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

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Frequently Asked Questions

What is the IUPAC name of 5-(6-methyl-1H-indol-3-yl)-1,2-oxazole-4-carboxylic acid?
The IUPAC name of 5-(6-methyl-1H-indol-3-yl)-1,2-oxazole-4-carboxylic acid (CID 136986206) is 5-(6-methyl-1H-indol-3-yl)-1,2-oxazole-4-carboxylic acid.
What is the SMILES notation for 5-(6-methyl-1H-indol-3-yl)-1,2-oxazole-4-carboxylic acid?
The canonical SMILES for 5-(6-methyl-1H-indol-3-yl)-1,2-oxazole-4-carboxylic acid is Cc1ccc2c(-c3oncc3C(=O)O)c[nH]c2c1.
What is the InChIKey of 5-(6-methyl-1H-indol-3-yl)-1,2-oxazole-4-carboxylic acid?
The InChIKey is GYNIEKNOLXVWOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O3/c1-7-2-3-8-9(5-14-11(8)4-7)12-10(13(16)17)6-15-18-12/h2-6,14H,1H3,(H,16,17).
What are the key properties of 5-(6-methyl-1H-indol-3-yl)-1,2-oxazole-4-carboxylic acid?
5-(6-methyl-1H-indol-3-yl)-1,2-oxazole-4-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 5-(6-methyl-1H-indol-3-yl)-1,2-oxazole-4-carboxylic acid is sourced from PubChem (CID 136986206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).