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

C13H9ClN2O3 — CID 117443278

IUPAC5-(5-chloro-2-methyl-1H-indol-6-yl)-1,2-oxazole-3-carboxylic acid
SMILESCc1cc2cc(Cl)c(-c3cc(C(=O)O)no3)cc2[nH]1
InChIInChI=1S/C13H9ClN2O3/c1-6-2-7-3-9(14)8(4-10(7)15-6)12-5-11(13(17)18)16-19-12/h2-5,15H,1H3,(H,17,18)
InChIKeyNVTGUTQZUKPSEV-UHFFFAOYSA-N
MW276.68 g/mol
LogP3.48
Rot. Bonds2

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

5-(5-chloro-2-methyl-1H-indol-6-yl)-1,2-oxazole-3-carboxylic acid (PubChem CID 117443278) has the molecular formula C13H9ClN2O3 and a molecular weight of 276.68 g/mol. Its IUPAC name is 5-(5-chloro-2-methyl-1H-indol-6-yl)-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(5-chloro-2-methyl-1H-indol-6-yl)-1,2-oxazole-3-carboxylic acid
PubChem CID117443278
Molecular FormulaC13H9ClN2O3
Molecular Weight276.68 g/mol
Exact Mass276.03
IUPAC Name5-(5-chloro-2-methyl-1H-indol-6-yl)-1,2-oxazole-3-carboxylic acid
SMILESCc1cc2cc(Cl)c(-c3cc(C(=O)O)no3)cc2[nH]1
InChIInChI=1S/C13H9ClN2O3/c1-6-2-7-3-9(14)8(4-10(7)15-6)12-5-11(13(17)18)16-19-12/h2-5,15H,1H3,(H,17,18)
InChIKeyNVTGUTQZUKPSEV-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-5-yl)-1,2-oxazole-3-carboxylic acid
CID 117443279
3-(5-chloro-2-methyl-1H-indol-6-yl)-1H-pyrazole-5-carboxylic acid
CID 117441323
5-(2-chloro-4-methylphenyl)-1,2-oxazole-3-carboxylic acid
CID 117347933
3-(5-chloro-2-methyl-1H-indol-6-yl)-1,2-oxazol-5-amine
CID 117372435
5-(2-chloro-5-hydroxy-4-methoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 117427083
5-(5-bromo-2-chlorophenyl)-1,2-oxazole-3-carboxylic acid
CID 117487455
5-(5-chloro-2-methyl-1H-indol-6-yl)-1H-pyrazol-3-amine
CID 117369292
5-(2-chloro-5-methylsulfonylphenyl)-1,2-oxazole-3-carboxylic acid
CID 117485836
5-(2-chloro-3-fluoro-4-methylphenyl)-1,2-oxazole-3-carboxylic acid
CID 117391990
5-[2-chloro-4-(1-fluoroethyl)phenyl]-1,2-oxazole-3-carboxylic acid
CID 117427117
5-(4-chloro-2-fluoro-3-hydroxy-5-methylphenyl)-1,2-oxazole-3-carboxylic acid
CID 117431805
5-(2-chloro-3-methoxy-5-methylphenyl)-1,2-oxazole-3-carboxylic acid
CID 117422559

Frequently Asked Questions

What is the IUPAC name of 5-(5-chloro-2-methyl-1H-indol-6-yl)-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-(5-chloro-2-methyl-1H-indol-6-yl)-1,2-oxazole-3-carboxylic acid (CID 117443278) is 5-(5-chloro-2-methyl-1H-indol-6-yl)-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-(5-chloro-2-methyl-1H-indol-6-yl)-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-(5-chloro-2-methyl-1H-indol-6-yl)-1,2-oxazole-3-carboxylic acid is Cc1cc2cc(Cl)c(-c3cc(C(=O)O)no3)cc2[nH]1.
What is the InChIKey of 5-(5-chloro-2-methyl-1H-indol-6-yl)-1,2-oxazole-3-carboxylic acid?
The InChIKey is NVTGUTQZUKPSEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN2O3/c1-6-2-7-3-9(14)8(4-10(7)15-6)12-5-11(13(17)18)16-19-12/h2-5,15H,1H3,(H,17,18).
What are the key properties of 5-(5-chloro-2-methyl-1H-indol-6-yl)-1,2-oxazole-3-carboxylic acid?
5-(5-chloro-2-methyl-1H-indol-6-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-(5-chloro-2-methyl-1H-indol-6-yl)-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 117443278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).