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

C13H9ClN2O3 — CID 136986361

IUPAC5-(4-chloro-2-methyl-1H-indol-3-yl)-1,2-oxazole-4-carboxylic acid
SMILESCc1[nH]c2cccc(Cl)c2c1-c1oncc1C(=O)O
InChIInChI=1S/C13H9ClN2O3/c1-6-10(12-7(13(17)18)5-15-19-12)11-8(14)3-2-4-9(11)16-6/h2-5,16H,1H3,(H,17,18)
InChIKeyVCLPUWJCSKWCER-UHFFFAOYSA-N
MW276.68 g/mol
LogP3.48
Rot. Bonds2

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

5-(4-chloro-2-methyl-1H-indol-3-yl)-1,2-oxazole-4-carboxylic acid (PubChem CID 136986361) has the molecular formula C13H9ClN2O3 and a molecular weight of 276.68 g/mol. Its IUPAC name is 5-(4-chloro-2-methyl-1H-indol-3-yl)-1,2-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(4-chloro-2-methyl-1H-indol-3-yl)-1,2-oxazole-4-carboxylic acid
PubChem CID136986361
Molecular FormulaC13H9ClN2O3
Molecular Weight276.68 g/mol
Exact Mass276.03
IUPAC Name5-(4-chloro-2-methyl-1H-indol-3-yl)-1,2-oxazole-4-carboxylic acid
SMILESCc1[nH]c2cccc(Cl)c2c1-c1oncc1C(=O)O
InChIInChI=1S/C13H9ClN2O3/c1-6-10(12-7(13(17)18)5-15-19-12)11-8(14)3-2-4-9(11)16-6/h2-5,16H,1H3,(H,17,18)
InChIKeyVCLPUWJCSKWCER-UHFFFAOYSA-N
XLogP3.48
TPSA79.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.68
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-chloro-2-methyl-1H-indol-3-yl)-1H-pyrazole-4-carboxylic acid
CID 136986379
6-(4-chloro-2-methyl-1H-indol-3-yl)pyridine-3-carboxylic acid
CID 115110657
5-(2,6-difluorophenyl)-1,2-oxazole-4-carboxylic acid
CID 112706804
5-(5-methoxy-2-methyl-1H-indol-3-yl)-1,2-oxazole-4-carboxylic acid
CID 136986316
2-chloro-1-(4-chloro-2-methyl-1H-indol-3-yl)ethanone
CID 53212190
4-chloro-N,N-diethyl-2-methyl-1H-indole-3-carboxamide
CID 110855128
5-(1,2-dimethylindol-3-yl)-1,2-oxazole-4-carboxylic acid
CID 82299507
2-(2,4-dimethyl-1H-indol-3-yl)-1H-pyrrole-3-carboxylic acid
CID 82381368
5-(5-chlorothiophen-2-yl)-1,2-oxazole-4-carboxylic acid
CID 71695554
2-methyl-3-propyl-1H-indole-4-carboxylic acid
CID 83964335
5-(2,6-dichlorophenyl)-4-methyl-1,2-oxazole
CID 140993924
5-(3-chloro-4-methoxyphenyl)-1,2-oxazole-4-carboxylic acid
CID 82298585

Frequently Asked Questions

What is the IUPAC name of 5-(4-chloro-2-methyl-1H-indol-3-yl)-1,2-oxazole-4-carboxylic acid?
The IUPAC name of 5-(4-chloro-2-methyl-1H-indol-3-yl)-1,2-oxazole-4-carboxylic acid (CID 136986361) is 5-(4-chloro-2-methyl-1H-indol-3-yl)-1,2-oxazole-4-carboxylic acid.
What is the SMILES notation for 5-(4-chloro-2-methyl-1H-indol-3-yl)-1,2-oxazole-4-carboxylic acid?
The canonical SMILES for 5-(4-chloro-2-methyl-1H-indol-3-yl)-1,2-oxazole-4-carboxylic acid is Cc1[nH]c2cccc(Cl)c2c1-c1oncc1C(=O)O.
What is the InChIKey of 5-(4-chloro-2-methyl-1H-indol-3-yl)-1,2-oxazole-4-carboxylic acid?
The InChIKey is VCLPUWJCSKWCER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN2O3/c1-6-10(12-7(13(17)18)5-15-19-12)11-8(14)3-2-4-9(11)16-6/h2-5,16H,1H3,(H,17,18).
What are the key properties of 5-(4-chloro-2-methyl-1H-indol-3-yl)-1,2-oxazole-4-carboxylic acid?
5-(4-chloro-2-methyl-1H-indol-3-yl)-1,2-oxazole-4-carboxylic acid has a molecular weight of 276.68 g/mol, XLogP of 3.48, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chloro-2-methyl-1H-indol-3-yl)-1,2-oxazole-4-carboxylic acid is sourced from PubChem (CID 136986361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).