4-phenyl-5-[3-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,3-oxazole

C17H11F3N4O — CID 23433710

IUPAC4-phenyl-5-[3-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,3-oxazole
SMILESFC(F)(F)Cc1nnc2ccc(-c3ocnc3-c3ccccc3)cn12
InChIInChI=1S/C17H11F3N4O/c18-17(19,20)8-14-23-22-13-7-6-12(9-24(13)14)16-15(21-10-25-16)11-4-2-1-3-5-11/h1-7,9-10H,8H2
InChIKeyGVSDOQWURSXBNP-UHFFFAOYSA-N
MW344.30 g/mol
LogP4.16
Rot. Bonds3

About 4-phenyl-5-[3-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,3-oxazole

4-phenyl-5-[3-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,3-oxazole (PubChem CID 23433710) has the molecular formula C17H11F3N4O and a molecular weight of 344.30 g/mol. Its IUPAC name is 4-phenyl-5-[3-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,3-oxazole.

Molecular Properties

Compound Name4-phenyl-5-[3-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,3-oxazole
PubChem CID23433710
Molecular FormulaC17H11F3N4O
Molecular Weight344.30 g/mol
Exact Mass344.09
IUPAC Name4-phenyl-5-[3-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,3-oxazole
SMILESFC(F)(F)Cc1nnc2ccc(-c3ocnc3-c3ccccc3)cn12
InChIInChI=1S/C17H11F3N4O/c18-17(19,20)8-14-23-22-13-7-6-12(9-24(13)14)16-15(21-10-25-16)11-4-2-1-3-5-11/h1-7,9-10H,8H2
InChIKeyGVSDOQWURSXBNP-UHFFFAOYSA-N
XLogP4.16
TPSA56.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.30
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-phenyl-5-[3-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,3-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-5-[3-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,3-oxazole?
The IUPAC name of 4-phenyl-5-[3-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,3-oxazole (CID 23433710) is 4-phenyl-5-[3-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,3-oxazole.
What is the SMILES notation for 4-phenyl-5-[3-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,3-oxazole?
The canonical SMILES for 4-phenyl-5-[3-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,3-oxazole is FC(F)(F)Cc1nnc2ccc(-c3ocnc3-c3ccccc3)cn12.
What is the InChIKey of 4-phenyl-5-[3-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,3-oxazole?
The InChIKey is GVSDOQWURSXBNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F3N4O/c18-17(19,20)8-14-23-22-13-7-6-12(9-24(13)14)16-15(21-10-25-16)11-4-2-1-3-5-11/h1-7,9-10H,8H2.
What are the key properties of 4-phenyl-5-[3-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,3-oxazole?
4-phenyl-5-[3-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,3-oxazole has a molecular weight of 344.30 g/mol, XLogP of 4.16, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-5-[3-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,3-oxazole is sourced from PubChem (CID 23433710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).