3-phenyl-5-[6-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-1,2,4-oxadiazole

C22H13F3N4O — CID 141167616

IUPAC3-phenyl-5-[6-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-1,2,4-oxadiazole
SMILESFC(F)(F)c1ccc(-c2ccc3ncc(-c4nc(-c5ccccc5)no4)n3c2)cc1
InChIInChI=1S/C22H13F3N4O/c23-22(24,25)17-9-6-14(7-10-17)16-8-11-19-26-12-18(29(19)13-16)21-27-20(28-30-21)15-4-2-1-3-5-15/h1-13H
InChIKeyXYAMBLQXQGXYIK-UHFFFAOYSA-N
MW406.37 g/mol
LogP5.74
Rot. Bonds3

About 3-phenyl-5-[6-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-1,2,4-oxadiazole

3-phenyl-5-[6-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-1,2,4-oxadiazole (PubChem CID 141167616) has the molecular formula C22H13F3N4O and a molecular weight of 406.37 g/mol. Its IUPAC name is 3-phenyl-5-[6-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-phenyl-5-[6-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-1,2,4-oxadiazole
PubChem CID141167616
Molecular FormulaC22H13F3N4O
Molecular Weight406.37 g/mol
Exact Mass406.10
IUPAC Name3-phenyl-5-[6-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-1,2,4-oxadiazole
SMILESFC(F)(F)c1ccc(-c2ccc3ncc(-c4nc(-c5ccccc5)no4)n3c2)cc1
InChIInChI=1S/C22H13F3N4O/c23-22(24,25)17-9-6-14(7-10-17)16-8-11-19-26-12-18(29(19)13-16)21-27-20(28-30-21)15-4-2-1-3-5-15/h1-13H
InChIKeyXYAMBLQXQGXYIK-UHFFFAOYSA-N
XLogP5.74
TPSA56.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.37
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(6-chloroimidazo[1,2-a]pyridin-3-yl)-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 163693237
3-phenyl-5-[3-phenyl-5-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 25110336
5-[6-methyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-3-phenyl-1,2,4-oxadiazole
CID 141185353
5-[3,5-bis(trifluoromethyl)phenyl]-3-phenyl-1,2,4-oxadiazole
CID 25110321
3-phenyl-5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 19324593
5-(6-chloro-3-pyridinyl)-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 1472030
3-(4-methylphenyl)-5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 19614165
5-(4-bromophenyl)-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 1362600
5-(4-tert-butylphenyl)-3-(4-phenylphenyl)-1,2,4-oxadiazole
CID 22134303
2-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]benzoic acid
CID 97057771
5-benzyl-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 23605175
3-chloro-6-phenylimidazo[1,2-a]pyridine
CID 119081486

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-5-[6-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-phenyl-5-[6-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-1,2,4-oxadiazole (CID 141167616) is 3-phenyl-5-[6-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-phenyl-5-[6-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-phenyl-5-[6-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-1,2,4-oxadiazole is FC(F)(F)c1ccc(-c2ccc3ncc(-c4nc(-c5ccccc5)no4)n3c2)cc1.
What is the InChIKey of 3-phenyl-5-[6-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-1,2,4-oxadiazole?
The InChIKey is XYAMBLQXQGXYIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13F3N4O/c23-22(24,25)17-9-6-14(7-10-17)16-8-11-19-26-12-18(29(19)13-16)21-27-20(28-30-21)15-4-2-1-3-5-15/h1-13H.
What are the key properties of 3-phenyl-5-[6-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-1,2,4-oxadiazole?
3-phenyl-5-[6-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-1,2,4-oxadiazole has a molecular weight of 406.37 g/mol, XLogP of 5.74, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-5-[6-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 141167616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).