5-(6-chloro-1-methylindol-2-yl)-1,2-oxazole-4-carboxylic acid

C13H9ClN2O3 — CID 115109327

IUPAC5-(6-chloro-1-methylindol-2-yl)-1,2-oxazole-4-carboxylic acid
SMILESCn1c(-c2oncc2C(=O)O)cc2ccc(Cl)cc21
InChIInChI=1S/C13H9ClN2O3/c1-16-10-5-8(14)3-2-7(10)4-11(16)12-9(13(17)18)6-15-19-12/h2-6H,1H3,(H,17,18)
InChIKeyHALJZVRFRNSGFD-UHFFFAOYSA-N
MW276.68 g/mol
LogP3.18
Rot. Bonds2

About 5-(6-chloro-1-methylindol-2-yl)-1,2-oxazole-4-carboxylic acid

5-(6-chloro-1-methylindol-2-yl)-1,2-oxazole-4-carboxylic acid (PubChem CID 115109327) has the molecular formula C13H9ClN2O3 and a molecular weight of 276.68 g/mol. Its IUPAC name is 5-(6-chloro-1-methylindol-2-yl)-1,2-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(6-chloro-1-methylindol-2-yl)-1,2-oxazole-4-carboxylic acid
PubChem CID115109327
Molecular FormulaC13H9ClN2O3
Molecular Weight276.68 g/mol
Exact Mass276.03
IUPAC Name5-(6-chloro-1-methylindol-2-yl)-1,2-oxazole-4-carboxylic acid
SMILESCn1c(-c2oncc2C(=O)O)cc2ccc(Cl)cc21
InChIInChI=1S/C13H9ClN2O3/c1-16-10-5-8(14)3-2-7(10)4-11(16)12-9(13(17)18)6-15-19-12/h2-6H,1H3,(H,17,18)
InChIKeyHALJZVRFRNSGFD-UHFFFAOYSA-N
XLogP3.18
TPSA68.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.68
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(5-methoxy-1-methylindol-2-yl)-1,2-oxazole-4-carboxylic acid
CID 115109391
5-(6-bromo-1-methylindol-2-yl)-1,2-oxazol-4-amine
CID 115109324
5-[(6-chloroindol-1-yl)methyl]-1,2-oxazole-4-carboxylic acid
CID 112753435
5-(6-hydroxy-1-methylindol-2-yl)-1-methylpyrazole-4-carboxylic acid
CID 136986454
5-(5-hydroxy-1,2-dimethylindol-3-yl)-1,2-oxazole-4-carboxylic acid
CID 115109089
2,4-bis[5-(6-chloro-1-methylindol-2-yl)-3-pyridinyl]pentan-3-one
CID 150688166
6-chloro-1-methyl-2-(5-methyl-3-pyridinyl)indole
CID 58215723
5-(1,2-dimethylindol-3-yl)-1,2-oxazole-4-carboxylic acid
CID 82299507
5-(6-fluoro-1-methylindol-2-yl)-1-methylpyrazole-4-carboxylic acid
CID 115109340
6-chloro-1-methylbenzimidazole-2-carboxylic acid
CID 83868060
5-(5-chlorothiophen-2-yl)-1,2-oxazole-4-carboxylic acid
CID 71695554
5-(3-chloro-4-methoxyphenyl)-1,2-oxazole-4-carboxylic acid
CID 82298585

Frequently Asked Questions

What is the IUPAC name of 5-(6-chloro-1-methylindol-2-yl)-1,2-oxazole-4-carboxylic acid?
The IUPAC name of 5-(6-chloro-1-methylindol-2-yl)-1,2-oxazole-4-carboxylic acid (CID 115109327) is 5-(6-chloro-1-methylindol-2-yl)-1,2-oxazole-4-carboxylic acid.
What is the SMILES notation for 5-(6-chloro-1-methylindol-2-yl)-1,2-oxazole-4-carboxylic acid?
The canonical SMILES for 5-(6-chloro-1-methylindol-2-yl)-1,2-oxazole-4-carboxylic acid is Cn1c(-c2oncc2C(=O)O)cc2ccc(Cl)cc21.
What is the InChIKey of 5-(6-chloro-1-methylindol-2-yl)-1,2-oxazole-4-carboxylic acid?
The InChIKey is HALJZVRFRNSGFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN2O3/c1-16-10-5-8(14)3-2-7(10)4-11(16)12-9(13(17)18)6-15-19-12/h2-6H,1H3,(H,17,18).
What are the key properties of 5-(6-chloro-1-methylindol-2-yl)-1,2-oxazole-4-carboxylic acid?
5-(6-chloro-1-methylindol-2-yl)-1,2-oxazole-4-carboxylic acid has a molecular weight of 276.68 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-chloro-1-methylindol-2-yl)-1,2-oxazole-4-carboxylic acid is sourced from PubChem (CID 115109327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).