3-chloro-6-(3,5-dimethyl-1,2-oxazol-4-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid

C14H9ClF3N3O3 — CID 68748216

IUPAC3-chloro-6-(3,5-dimethyl-1,2-oxazol-4-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid
SMILESCc1noc(C)c1-c1cc(C(F)(F)F)c2nc(C(=O)O)c(Cl)n2c1
InChIInChI=1S/C14H9ClF3N3O3/c1-5-9(6(2)24-20-5)7-3-8(14(16,17)18)12-19-10(13(22)23)11(15)21(12)4-7/h3-4H,1-2H3,(H,22,23)
InChIKeyVBBJWQTXLXOZGA-UHFFFAOYSA-N
MW359.69 g/mol
LogP3.98
Rot. Bonds2

About 3-chloro-6-(3,5-dimethyl-1,2-oxazol-4-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid

3-chloro-6-(3,5-dimethyl-1,2-oxazol-4-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid (PubChem CID 68748216) has the molecular formula C14H9ClF3N3O3 and a molecular weight of 359.69 g/mol. Its IUPAC name is 3-chloro-6-(3,5-dimethyl-1,2-oxazol-4-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-chloro-6-(3,5-dimethyl-1,2-oxazol-4-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid
PubChem CID68748216
Molecular FormulaC14H9ClF3N3O3
Molecular Weight359.69 g/mol
Exact Mass359.03
IUPAC Name3-chloro-6-(3,5-dimethyl-1,2-oxazol-4-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid
SMILESCc1noc(C)c1-c1cc(C(F)(F)F)c2nc(C(=O)O)c(Cl)n2c1
InChIInChI=1S/C14H9ClF3N3O3/c1-5-9(6(2)24-20-5)7-3-8(14(16,17)18)12-19-10(13(22)23)11(15)21(12)4-7/h3-4H,1-2H3,(H,22,23)
InChIKeyVBBJWQTXLXOZGA-UHFFFAOYSA-N
XLogP3.98
TPSA80.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.69
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-(3,5-dimethyl-1,2-oxazol-4-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid?
The IUPAC name of 3-chloro-6-(3,5-dimethyl-1,2-oxazol-4-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid (CID 68748216) is 3-chloro-6-(3,5-dimethyl-1,2-oxazol-4-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-chloro-6-(3,5-dimethyl-1,2-oxazol-4-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid?
The canonical SMILES for 3-chloro-6-(3,5-dimethyl-1,2-oxazol-4-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid is Cc1noc(C)c1-c1cc(C(F)(F)F)c2nc(C(=O)O)c(Cl)n2c1.
What is the InChIKey of 3-chloro-6-(3,5-dimethyl-1,2-oxazol-4-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid?
The InChIKey is VBBJWQTXLXOZGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClF3N3O3/c1-5-9(6(2)24-20-5)7-3-8(14(16,17)18)12-19-10(13(22)23)11(15)21(12)4-7/h3-4H,1-2H3,(H,22,23).
What are the key properties of 3-chloro-6-(3,5-dimethyl-1,2-oxazol-4-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid?
3-chloro-6-(3,5-dimethyl-1,2-oxazol-4-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid has a molecular weight of 359.69 g/mol, XLogP of 3.98, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-(3,5-dimethyl-1,2-oxazol-4-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid is sourced from PubChem (CID 68748216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).