8-[5-[3-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]imidazo[1,2-a]pyridine-5-carboxylic acid

C20H13F6N3O3 — CID 58319065

IUPAC8-[5-[3-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]imidazo[1,2-a]pyridine-5-carboxylic acid
SMILESCc1cc(C(F)(F)F)cc(C2(C(F)(F)F)CC(c3ccc(C(=O)O)n4ccnc34)=NO2)c1
InChIInChI=1S/C20H13F6N3O3/c1-10-6-11(8-12(7-10)19(21,22)23)18(20(24,25)26)9-14(28-32-18)13-2-3-15(17(30)31)29-5-4-27-16(13)29/h2-8H,9H2,1H3,(H,30,31)
InChIKeyPNOLZDALPMFSBT-UHFFFAOYSA-N
MW457.33 g/mol
LogP4.94
Rot. Bonds3

About 8-[5-[3-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]imidazo[1,2-a]pyridine-5-carboxylic acid

8-[5-[3-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]imidazo[1,2-a]pyridine-5-carboxylic acid (PubChem CID 58319065) has the molecular formula C20H13F6N3O3 and a molecular weight of 457.33 g/mol. Its IUPAC name is 8-[5-[3-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]imidazo[1,2-a]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name8-[5-[3-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]imidazo[1,2-a]pyridine-5-carboxylic acid
PubChem CID58319065
Molecular FormulaC20H13F6N3O3
Molecular Weight457.33 g/mol
Exact Mass457.09
IUPAC Name8-[5-[3-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]imidazo[1,2-a]pyridine-5-carboxylic acid
SMILESCc1cc(C(F)(F)F)cc(C2(C(F)(F)F)CC(c3ccc(C(=O)O)n4ccnc34)=NO2)c1
InChIInChI=1S/C20H13F6N3O3/c1-10-6-11(8-12(7-10)19(21,22)23)18(20(24,25)26)9-14(28-32-18)13-2-3-15(17(30)31)29-5-4-27-16(13)29/h2-8H,9H2,1H3,(H,30,31)
InChIKeyPNOLZDALPMFSBT-UHFFFAOYSA-N
XLogP4.94
TPSA76.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.33
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-[5-[3-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]imidazo[1,2-a]pyridine-5-carboxylic acid?
The IUPAC name of 8-[5-[3-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]imidazo[1,2-a]pyridine-5-carboxylic acid (CID 58319065) is 8-[5-[3-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]imidazo[1,2-a]pyridine-5-carboxylic acid.
What is the SMILES notation for 8-[5-[3-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]imidazo[1,2-a]pyridine-5-carboxylic acid?
The canonical SMILES for 8-[5-[3-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]imidazo[1,2-a]pyridine-5-carboxylic acid is Cc1cc(C(F)(F)F)cc(C2(C(F)(F)F)CC(c3ccc(C(=O)O)n4ccnc34)=NO2)c1.
What is the InChIKey of 8-[5-[3-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]imidazo[1,2-a]pyridine-5-carboxylic acid?
The InChIKey is PNOLZDALPMFSBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F6N3O3/c1-10-6-11(8-12(7-10)19(21,22)23)18(20(24,25)26)9-14(28-32-18)13-2-3-15(17(30)31)29-5-4-27-16(13)29/h2-8H,9H2,1H3,(H,30,31).
What are the key properties of 8-[5-[3-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]imidazo[1,2-a]pyridine-5-carboxylic acid?
8-[5-[3-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]imidazo[1,2-a]pyridine-5-carboxylic acid has a molecular weight of 457.33 g/mol, XLogP of 4.94, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[5-[3-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]imidazo[1,2-a]pyridine-5-carboxylic acid is sourced from PubChem (CID 58319065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).