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

C13H9ClN2O3 — CID 117443279

IUPAC5-(4-chloro-2-methyl-1H-indol-5-yl)-1,2-oxazole-3-carboxylic acid
SMILESCc1cc2c(Cl)c(-c3cc(C(=O)O)no3)ccc2[nH]1
InChIInChI=1S/C13H9ClN2O3/c1-6-4-8-9(15-6)3-2-7(12(8)14)11-5-10(13(17)18)16-19-11/h2-5,15H,1H3,(H,17,18)
InChIKeyZTMPUKHPYAUSGI-UHFFFAOYSA-N
MW276.68 g/mol
LogP3.48
Rot. Bonds2

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

5-(4-chloro-2-methyl-1H-indol-5-yl)-1,2-oxazole-3-carboxylic acid (PubChem CID 117443279) 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-5-yl)-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(4-chloro-2-methyl-1H-indol-5-yl)-1,2-oxazole-3-carboxylic acid
PubChem CID117443279
Molecular FormulaC13H9ClN2O3
Molecular Weight276.68 g/mol
Exact Mass276.03
IUPAC Name5-(4-chloro-2-methyl-1H-indol-5-yl)-1,2-oxazole-3-carboxylic acid
SMILESCc1cc2c(Cl)c(-c3cc(C(=O)O)no3)ccc2[nH]1
InChIInChI=1S/C13H9ClN2O3/c1-6-4-8-9(15-6)3-2-7(12(8)14)11-5-10(13(17)18)16-19-11/h2-5,15H,1H3,(H,17,18)
InChIKeyZTMPUKHPYAUSGI-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-(5-chloro-2-methyl-1H-indol-6-yl)-1,2-oxazole-3-carboxylic acid
CID 117443278
5-(2-chloro-3-methoxy-4-methylphenyl)-1,2-oxazole-3-carboxylic acid
CID 117422565
5-(2-chloro-3-fluoro-4-methylphenyl)-1,2-oxazole-3-carboxylic acid
CID 117391990
3-(4-chloro-2-methyl-1H-indol-5-yl)-1H-pyrazole-5-carboxylic acid
CID 117441324
4-chloro-2-methyl-1H-indole-5-carboxylic acid
CID 82612258
5-(2-chloro-4-methylphenyl)-1,2-oxazole-3-carboxylic acid
CID 117347933
5-(2,3-dihydroxy-4-methylphenyl)-1,2-oxazole-3-carboxylic acid
CID 137017056
5-(4-chloro-1,3-benzodioxol-5-yl)-1,2-oxazole-3-carboxylic acid
CID 117422475
[3-(4-chloro-2-methyl-1H-indol-5-yl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117411456
5-(2-bromo-4-chlorophenyl)-1,2-oxazole-3-carboxylic acid
CID 117487454
5-(3-hydroxy-2,4-dimethylphenyl)-1,2-oxazole-3-carboxylic acid
CID 117337523
5-(2-hydroxy-3,4-dimethylphenyl)-1,2-oxazole-3-carboxylic acid
CID 137007313

Frequently Asked Questions

What is the IUPAC name of 5-(4-chloro-2-methyl-1H-indol-5-yl)-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-(4-chloro-2-methyl-1H-indol-5-yl)-1,2-oxazole-3-carboxylic acid (CID 117443279) is 5-(4-chloro-2-methyl-1H-indol-5-yl)-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-(4-chloro-2-methyl-1H-indol-5-yl)-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-(4-chloro-2-methyl-1H-indol-5-yl)-1,2-oxazole-3-carboxylic acid is Cc1cc2c(Cl)c(-c3cc(C(=O)O)no3)ccc2[nH]1.
What is the InChIKey of 5-(4-chloro-2-methyl-1H-indol-5-yl)-1,2-oxazole-3-carboxylic acid?
The InChIKey is ZTMPUKHPYAUSGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN2O3/c1-6-4-8-9(15-6)3-2-7(12(8)14)11-5-10(13(17)18)16-19-11/h2-5,15H,1H3,(H,17,18).
What are the key properties of 5-(4-chloro-2-methyl-1H-indol-5-yl)-1,2-oxazole-3-carboxylic acid?
5-(4-chloro-2-methyl-1H-indol-5-yl)-1,2-oxazole-3-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-5-yl)-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 117443279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).