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

C13H10N2O3 — CID 82387106

IUPAC5-(5-methyl-1H-indol-2-yl)-1,3-oxazole-2-carboxylic acid
SMILESCc1ccc2[nH]c(-c3cnc(C(=O)O)o3)cc2c1
InChIInChI=1S/C13H10N2O3/c1-7-2-3-9-8(4-7)5-10(15-9)11-6-14-12(18-11)13(16)17/h2-6,15H,1H3,(H,16,17)
InChIKeyKWOLWBVVDJHLJQ-UHFFFAOYSA-N
MW242.23 g/mol
LogP2.83
Rot. Bonds2

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

5-(5-methyl-1H-indol-2-yl)-1,3-oxazole-2-carboxylic acid (PubChem CID 82387106) has the molecular formula C13H10N2O3 and a molecular weight of 242.23 g/mol. Its IUPAC name is 5-(5-methyl-1H-indol-2-yl)-1,3-oxazole-2-carboxylic acid.

Molecular Properties

Compound Name5-(5-methyl-1H-indol-2-yl)-1,3-oxazole-2-carboxylic acid
PubChem CID82387106
Molecular FormulaC13H10N2O3
Molecular Weight242.23 g/mol
Exact Mass242.07
IUPAC Name5-(5-methyl-1H-indol-2-yl)-1,3-oxazole-2-carboxylic acid
SMILESCc1ccc2[nH]c(-c3cnc(C(=O)O)o3)cc2c1
InChIInChI=1S/C13H10N2O3/c1-7-2-3-9-8(4-7)5-10(15-9)11-6-14-12(18-11)13(16)17/h2-6,15H,1H3,(H,16,17)
InChIKeyKWOLWBVVDJHLJQ-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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Related Compounds

1-methyl-5-(5-methyl-1H-indol-2-yl)pyrazole-3-carboxylic acid
CID 136985778
5-(4-fluorophenyl)-1,3-oxazole-2-carboxylic acid
CID 18695170
N-[2-(5-methyl-1H-indol-2-yl)phenyl]acetamide
CID 134835281
5-(4-methoxy-2,6-dimethylphenyl)-1,3-oxazole-2-carboxylic acid
CID 82049390
5-(6-methylnaphthalen-2-yl)-1H-imidazole-2-carboxylic acid
CID 116878561
2-(3,4-dimethylphenyl)-5-methyl-1H-indole
CID 36688011
4-(5-methyl-1H-indol-2-yl)aniline
CID 15322512
5-(4-propan-2-ylphenyl)-1,3-oxazole-2-carboxylic acid
CID 82049028
3-(5-methyl-1H-indol-2-yl)-3-oxopropanoic acid
CID 165356574
(Z)-3-(5-methyl-1H-indol-2-yl)prop-2-enamide
CID 170878076
5-methyl-2-(4-methylsulfonylphenyl)-1H-indole
CID 19694484
(5-methyl-1H-indol-2-yl)-(4-methylphenyl)methanone
CID 59088766

Frequently Asked Questions

What is the IUPAC name of 5-(5-methyl-1H-indol-2-yl)-1,3-oxazole-2-carboxylic acid?
The IUPAC name of 5-(5-methyl-1H-indol-2-yl)-1,3-oxazole-2-carboxylic acid (CID 82387106) is 5-(5-methyl-1H-indol-2-yl)-1,3-oxazole-2-carboxylic acid.
What is the SMILES notation for 5-(5-methyl-1H-indol-2-yl)-1,3-oxazole-2-carboxylic acid?
The canonical SMILES for 5-(5-methyl-1H-indol-2-yl)-1,3-oxazole-2-carboxylic acid is Cc1ccc2[nH]c(-c3cnc(C(=O)O)o3)cc2c1.
What is the InChIKey of 5-(5-methyl-1H-indol-2-yl)-1,3-oxazole-2-carboxylic acid?
The InChIKey is KWOLWBVVDJHLJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O3/c1-7-2-3-9-8(4-7)5-10(15-9)11-6-14-12(18-11)13(16)17/h2-6,15H,1H3,(H,16,17).
What are the key properties of 5-(5-methyl-1H-indol-2-yl)-1,3-oxazole-2-carboxylic acid?
5-(5-methyl-1H-indol-2-yl)-1,3-oxazole-2-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-(5-methyl-1H-indol-2-yl)-1,3-oxazole-2-carboxylic acid is sourced from PubChem (CID 82387106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).