5-(4-chloro-1-methylindol-6-yl)-1,2-oxazole-3-carboxylic acid

C13H9ClN2O3 — CID 117443276

IUPAC5-(4-chloro-1-methylindol-6-yl)-1,2-oxazole-3-carboxylic acid
SMILESCn1ccc2c(Cl)cc(-c3cc(C(=O)O)no3)cc21
InChIInChI=1S/C13H9ClN2O3/c1-16-3-2-8-9(14)4-7(5-11(8)16)12-6-10(13(17)18)15-19-12/h2-6H,1H3,(H,17,18)
InChIKeyIGYNGMUXACBKDO-UHFFFAOYSA-N
MW276.68 g/mol
LogP3.18
Rot. Bonds2

About 5-(4-chloro-1-methylindol-6-yl)-1,2-oxazole-3-carboxylic acid

5-(4-chloro-1-methylindol-6-yl)-1,2-oxazole-3-carboxylic acid (PubChem CID 117443276) has the molecular formula C13H9ClN2O3 and a molecular weight of 276.68 g/mol. Its IUPAC name is 5-(4-chloro-1-methylindol-6-yl)-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(4-chloro-1-methylindol-6-yl)-1,2-oxazole-3-carboxylic acid
PubChem CID117443276
Molecular FormulaC13H9ClN2O3
Molecular Weight276.68 g/mol
Exact Mass276.03
IUPAC Name5-(4-chloro-1-methylindol-6-yl)-1,2-oxazole-3-carboxylic acid
SMILESCn1ccc2c(Cl)cc(-c3cc(C(=O)O)no3)cc21
InChIInChI=1S/C13H9ClN2O3/c1-16-3-2-8-9(14)4-7(5-11(8)16)12-6-10(13(17)18)15-19-12/h2-6H,1H3,(H,17,18)
InChIKeyIGYNGMUXACBKDO-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-(4-chlorophenyl)-1,2-oxazole-3-carboxylic acid
CID 1133644
5-(1-methylindazol-6-yl)-1,2-oxazole-3-carboxylic acid
CID 117359203
5-(5-fluoro-1-methylindol-6-yl)-1,2-oxazole-3-carboxylic acid
CID 117404267
5-(7-methoxy-1-methylindol-4-yl)-1,2-oxazole-3-carboxylic acid
CID 117433252
5-(2-chloro-4-methylphenyl)-1,2-oxazole-3-carboxylic acid
CID 117347933
5-(3,5-difluoro-4-methoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 117390409
5-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-1,2-oxazole-3-carboxylic acid
CID 82500452
5-(3-chloro-2-methoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 117386910
5-(5-chloro-3-fluoro-2,4-dimethoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 117485824
5-(3-chloro-5-fluoro-2-methoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 117431806
5-[2-chloro-4-(1-fluoroethyl)phenyl]-1,2-oxazole-3-carboxylic acid
CID 117427117
1-(4-chloro-1-methylindol-6-yl)cyclopentane-1-carboxylic acid
CID 117445302

Frequently Asked Questions

What is the IUPAC name of 5-(4-chloro-1-methylindol-6-yl)-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-(4-chloro-1-methylindol-6-yl)-1,2-oxazole-3-carboxylic acid (CID 117443276) is 5-(4-chloro-1-methylindol-6-yl)-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-(4-chloro-1-methylindol-6-yl)-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-(4-chloro-1-methylindol-6-yl)-1,2-oxazole-3-carboxylic acid is Cn1ccc2c(Cl)cc(-c3cc(C(=O)O)no3)cc21.
What is the InChIKey of 5-(4-chloro-1-methylindol-6-yl)-1,2-oxazole-3-carboxylic acid?
The InChIKey is IGYNGMUXACBKDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN2O3/c1-16-3-2-8-9(14)4-7(5-11(8)16)12-6-10(13(17)18)15-19-12/h2-6H,1H3,(H,17,18).
What are the key properties of 5-(4-chloro-1-methylindol-6-yl)-1,2-oxazole-3-carboxylic acid?
5-(4-chloro-1-methylindol-6-yl)-1,2-oxazole-3-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-(4-chloro-1-methylindol-6-yl)-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 117443276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).