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

C13H10N2O3 — CID 82387136

IUPAC5-(3-methyl-1H-indol-5-yl)-1,2-oxazole-3-carboxylic acid
SMILESCc1c[nH]c2ccc(-c3cc(C(=O)O)no3)cc12
InChIInChI=1S/C13H10N2O3/c1-7-6-14-10-3-2-8(4-9(7)10)12-5-11(13(16)17)15-18-12/h2-6,14H,1H3,(H,16,17)
InChIKeyKHUWDKNXRZXCKG-UHFFFAOYSA-N
MW242.23 g/mol
LogP2.83
Rot. Bonds2

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

5-(3-methyl-1H-indol-5-yl)-1,2-oxazole-3-carboxylic acid (PubChem CID 82387136) has the molecular formula C13H10N2O3 and a molecular weight of 242.23 g/mol. Its IUPAC name is 5-(3-methyl-1H-indol-5-yl)-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(3-methyl-1H-indol-5-yl)-1,2-oxazole-3-carboxylic acid
PubChem CID82387136
Molecular FormulaC13H10N2O3
Molecular Weight242.23 g/mol
Exact Mass242.07
IUPAC Name5-(3-methyl-1H-indol-5-yl)-1,2-oxazole-3-carboxylic acid
SMILESCc1c[nH]c2ccc(-c3cc(C(=O)O)no3)cc12
InChIInChI=1S/C13H10N2O3/c1-7-6-14-10-3-2-8(4-9(7)10)12-5-11(13(16)17)15-18-12/h2-6,14H,1H3,(H,16,17)
InChIKeyKHUWDKNXRZXCKG-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-(3-methyl-1H-indol-5-yl)-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-(3-methyl-1H-indol-5-yl)-1,2-oxazole-3-carboxylic acid (CID 82387136) is 5-(3-methyl-1H-indol-5-yl)-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-(3-methyl-1H-indol-5-yl)-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-(3-methyl-1H-indol-5-yl)-1,2-oxazole-3-carboxylic acid is Cc1c[nH]c2ccc(-c3cc(C(=O)O)no3)cc12.
What is the InChIKey of 5-(3-methyl-1H-indol-5-yl)-1,2-oxazole-3-carboxylic acid?
The InChIKey is KHUWDKNXRZXCKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O3/c1-7-6-14-10-3-2-8(4-9(7)10)12-5-11(13(16)17)15-18-12/h2-6,14H,1H3,(H,16,17).
What are the key properties of 5-(3-methyl-1H-indol-5-yl)-1,2-oxazole-3-carboxylic acid?
5-(3-methyl-1H-indol-5-yl)-1,2-oxazole-3-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-(3-methyl-1H-indol-5-yl)-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 82387136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).