5-[5-[3,5-bis(trifluoromethyl)phenyl]-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]imidazo[1,2-a]pyridine-8-carboxylic acid

C20H10F9N3O3 — CID 123357687

IUPAC5-[5-[3,5-bis(trifluoromethyl)phenyl]-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]imidazo[1,2-a]pyridine-8-carboxylic acid
SMILESO=C(O)c1ccc(C2=CC(c3cc(C(F)(F)F)cc(C(F)(F)F)c3)(C(F)(F)F)ON2)n2ccnc12
InChIInChI=1S/C20H10F9N3O3/c21-18(22,23)10-5-9(6-11(7-10)19(24,25)26)17(20(27,28)29)8-13(31-35-17)14-2-1-12(16(33)34)15-30-3-4-32(14)15/h1-8,31H,(H,33,34)
InChIKeyYDFRDUPFFLZVCT-UHFFFAOYSA-N
MW511.30 g/mol
LogP5.40
Rot. Bonds3

About 5-[5-[3,5-bis(trifluoromethyl)phenyl]-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]imidazo[1,2-a]pyridine-8-carboxylic acid

5-[5-[3,5-bis(trifluoromethyl)phenyl]-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]imidazo[1,2-a]pyridine-8-carboxylic acid (PubChem CID 123357687) has the molecular formula C20H10F9N3O3 and a molecular weight of 511.30 g/mol. Its IUPAC name is 5-[5-[3,5-bis(trifluoromethyl)phenyl]-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]imidazo[1,2-a]pyridine-8-carboxylic acid.

Molecular Properties

Compound Name5-[5-[3,5-bis(trifluoromethyl)phenyl]-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]imidazo[1,2-a]pyridine-8-carboxylic acid
PubChem CID123357687
Molecular FormulaC20H10F9N3O3
Molecular Weight511.30 g/mol
Exact Mass511.06
IUPAC Name5-[5-[3,5-bis(trifluoromethyl)phenyl]-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]imidazo[1,2-a]pyridine-8-carboxylic acid
SMILESO=C(O)c1ccc(C2=CC(c3cc(C(F)(F)F)cc(C(F)(F)F)c3)(C(F)(F)F)ON2)n2ccnc12
InChIInChI=1S/C20H10F9N3O3/c21-18(22,23)10-5-9(6-11(7-10)19(24,25)26)17(20(27,28)29)8-13(31-35-17)14-2-1-12(16(33)34)15-30-3-4-32(14)15/h1-8,31H,(H,33,34)
InChIKeyYDFRDUPFFLZVCT-UHFFFAOYSA-N
XLogP5.40
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.30
LogP ≤ 55.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[5-[3,5-bis(trifluoromethyl)phenyl]-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]imidazo[1,2-a]pyridine-8-carboxylic acid?
The IUPAC name of 5-[5-[3,5-bis(trifluoromethyl)phenyl]-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]imidazo[1,2-a]pyridine-8-carboxylic acid (CID 123357687) is 5-[5-[3,5-bis(trifluoromethyl)phenyl]-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]imidazo[1,2-a]pyridine-8-carboxylic acid.
What is the SMILES notation for 5-[5-[3,5-bis(trifluoromethyl)phenyl]-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]imidazo[1,2-a]pyridine-8-carboxylic acid?
The canonical SMILES for 5-[5-[3,5-bis(trifluoromethyl)phenyl]-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]imidazo[1,2-a]pyridine-8-carboxylic acid is O=C(O)c1ccc(C2=CC(c3cc(C(F)(F)F)cc(C(F)(F)F)c3)(C(F)(F)F)ON2)n2ccnc12.
What is the InChIKey of 5-[5-[3,5-bis(trifluoromethyl)phenyl]-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]imidazo[1,2-a]pyridine-8-carboxylic acid?
The InChIKey is YDFRDUPFFLZVCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H10F9N3O3/c21-18(22,23)10-5-9(6-11(7-10)19(24,25)26)17(20(27,28)29)8-13(31-35-17)14-2-1-12(16(33)34)15-30-3-4-32(14)15/h1-8,31H,(H,33,34).
What are the key properties of 5-[5-[3,5-bis(trifluoromethyl)phenyl]-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]imidazo[1,2-a]pyridine-8-carboxylic acid?
5-[5-[3,5-bis(trifluoromethyl)phenyl]-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]imidazo[1,2-a]pyridine-8-carboxylic acid has a molecular weight of 511.30 g/mol, XLogP of 5.40, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[3,5-bis(trifluoromethyl)phenyl]-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]imidazo[1,2-a]pyridine-8-carboxylic acid is sourced from PubChem (CID 123357687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).