5-(1,2-dimethylindol-3-yl)-1,2-oxazole-4-carboxylic acid

C14H12N2O3 — CID 82299507

IUPAC5-(1,2-dimethylindol-3-yl)-1,2-oxazole-4-carboxylic acid
SMILESCc1c(-c2oncc2C(=O)O)c2ccccc2n1C
InChIInChI=1S/C14H12N2O3/c1-8-12(13-10(14(17)18)7-15-19-13)9-5-3-4-6-11(9)16(8)2/h3-7H,1-2H3,(H,17,18)
InChIKeyLIHJIRILICJCSC-UHFFFAOYSA-N
MW256.26 g/mol
LogP2.84
Rot. Bonds2

About 5-(1,2-dimethylindol-3-yl)-1,2-oxazole-4-carboxylic acid

5-(1,2-dimethylindol-3-yl)-1,2-oxazole-4-carboxylic acid (PubChem CID 82299507) has the molecular formula C14H12N2O3 and a molecular weight of 256.26 g/mol. Its IUPAC name is 5-(1,2-dimethylindol-3-yl)-1,2-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(1,2-dimethylindol-3-yl)-1,2-oxazole-4-carboxylic acid
PubChem CID82299507
Molecular FormulaC14H12N2O3
Molecular Weight256.26 g/mol
Exact Mass256.08
IUPAC Name5-(1,2-dimethylindol-3-yl)-1,2-oxazole-4-carboxylic acid
SMILESCc1c(-c2oncc2C(=O)O)c2ccccc2n1C
InChIInChI=1S/C14H12N2O3/c1-8-12(13-10(14(17)18)7-15-19-13)9-5-3-4-6-11(9)16(8)2/h3-7H,1-2H3,(H,17,18)
InChIKeyLIHJIRILICJCSC-UHFFFAOYSA-N
XLogP2.84
TPSA68.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(5-hydroxy-1,2-dimethylindol-3-yl)-1,2-oxazole-4-carboxylic acid
CID 115109089
5-(1,2-dimethylindol-3-yl)-1H-pyrazole-4-carboxylic acid
CID 82299165
2-(1,2-dimethylindol-3-yl)-4-methyl-1,3-oxazole-5-carboxylic acid
CID 82488144
4-(1,2-dimethylindol-3-yl)-1,3-oxazole-5-carboxylic acid
CID 82299508
5-(2,6-difluorophenyl)-1,2-oxazole-4-carboxylic acid
CID 112706804
3,4-bis(1,2-dimethylindol-3-yl)cyclobut-3-ene-1,2-dione
CID 126480670
1-(2-methylpyrazol-3-yl)indole-3-carboxylic acid
CID 152744497
4-(1,2-dimethylindol-3-yl)phenol
CID 82039937
5-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-4-carboxylic acid
CID 131400101
5-methyl-1-(1-methylindol-3-yl)pyrazole-4-carboxylic acid
CID 82482197
5-(1,2-dimethylindol-3-yl)-1,3-oxazol-2-amine
CID 82287964
5-(6-chloro-1-methylindol-2-yl)-1,2-oxazole-4-carboxylic acid
CID 115109327

Frequently Asked Questions

What is the IUPAC name of 5-(1,2-dimethylindol-3-yl)-1,2-oxazole-4-carboxylic acid?
The IUPAC name of 5-(1,2-dimethylindol-3-yl)-1,2-oxazole-4-carboxylic acid (CID 82299507) is 5-(1,2-dimethylindol-3-yl)-1,2-oxazole-4-carboxylic acid.
What is the SMILES notation for 5-(1,2-dimethylindol-3-yl)-1,2-oxazole-4-carboxylic acid?
The canonical SMILES for 5-(1,2-dimethylindol-3-yl)-1,2-oxazole-4-carboxylic acid is Cc1c(-c2oncc2C(=O)O)c2ccccc2n1C.
What is the InChIKey of 5-(1,2-dimethylindol-3-yl)-1,2-oxazole-4-carboxylic acid?
The InChIKey is LIHJIRILICJCSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O3/c1-8-12(13-10(14(17)18)7-15-19-13)9-5-3-4-6-11(9)16(8)2/h3-7H,1-2H3,(H,17,18).
What are the key properties of 5-(1,2-dimethylindol-3-yl)-1,2-oxazole-4-carboxylic acid?
5-(1,2-dimethylindol-3-yl)-1,2-oxazole-4-carboxylic acid has a molecular weight of 256.26 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,2-dimethylindol-3-yl)-1,2-oxazole-4-carboxylic acid is sourced from PubChem (CID 82299507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).