6-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[1,2-a]pyridine-2-carboxylic acid

C13H11N3O3 — CID 138663414

IUPAC6-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[1,2-a]pyridine-2-carboxylic acid
SMILESCc1noc(C)c1-c1ccc2nc(C(=O)O)cn2c1
InChIInChI=1S/C13H11N3O3/c1-7-12(8(2)19-15-7)9-3-4-11-14-10(13(17)18)6-16(11)5-9/h3-6H,1-2H3,(H,17,18)
InChIKeyWFFNTKINNURZEW-UHFFFAOYSA-N
MW257.25 g/mol
LogP2.30
Rot. Bonds2

About 6-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[1,2-a]pyridine-2-carboxylic acid

6-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[1,2-a]pyridine-2-carboxylic acid (PubChem CID 138663414) has the molecular formula C13H11N3O3 and a molecular weight of 257.25 g/mol. Its IUPAC name is 6-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[1,2-a]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[1,2-a]pyridine-2-carboxylic acid
PubChem CID138663414
Molecular FormulaC13H11N3O3
Molecular Weight257.25 g/mol
Exact Mass257.08
IUPAC Name6-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[1,2-a]pyridine-2-carboxylic acid
SMILESCc1noc(C)c1-c1ccc2nc(C(=O)O)cn2c1
InChIInChI=1S/C13H11N3O3/c1-7-12(8(2)19-15-7)9-3-4-11-14-10(13(17)18)6-16(11)5-9/h3-6H,1-2H3,(H,17,18)
InChIKeyWFFNTKINNURZEW-UHFFFAOYSA-N
XLogP2.30
TPSA80.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[1,2-a]pyridine-2-carboxylic acid?
The IUPAC name of 6-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[1,2-a]pyridine-2-carboxylic acid (CID 138663414) is 6-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[1,2-a]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[1,2-a]pyridine-2-carboxylic acid?
The canonical SMILES for 6-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[1,2-a]pyridine-2-carboxylic acid is Cc1noc(C)c1-c1ccc2nc(C(=O)O)cn2c1.
What is the InChIKey of 6-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[1,2-a]pyridine-2-carboxylic acid?
The InChIKey is WFFNTKINNURZEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O3/c1-7-12(8(2)19-15-7)9-3-4-11-14-10(13(17)18)6-16(11)5-9/h3-6H,1-2H3,(H,17,18).
What are the key properties of 6-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[1,2-a]pyridine-2-carboxylic acid?
6-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[1,2-a]pyridine-2-carboxylic acid has a molecular weight of 257.25 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[1,2-a]pyridine-2-carboxylic acid is sourced from PubChem (CID 138663414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).