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

C18H13F3N4O — CID 68663793

IUPAC2-imidazo[1,2-a]pyridin-6-yl-5-[2-[3-(trifluoromethyl)phenyl]ethyl]-1,3,4-oxadiazole
SMILESFC(F)(F)c1cccc(CCc2nnc(-c3ccc4nccn4c3)o2)c1
InChIInChI=1S/C18H13F3N4O/c19-18(20,21)14-3-1-2-12(10-14)4-7-16-23-24-17(26-16)13-5-6-15-22-8-9-25(15)11-13/h1-3,5-6,8-11H,4,7H2
InChIKeySPDXEWYNOOFXSU-UHFFFAOYSA-N
MW358.32 g/mol
LogP4.19
Rot. Bonds4

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

2-imidazo[1,2-a]pyridin-6-yl-5-[2-[3-(trifluoromethyl)phenyl]ethyl]-1,3,4-oxadiazole (PubChem CID 68663793) has the molecular formula C18H13F3N4O and a molecular weight of 358.32 g/mol. Its IUPAC name is 2-imidazo[1,2-a]pyridin-6-yl-5-[2-[3-(trifluoromethyl)phenyl]ethyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-imidazo[1,2-a]pyridin-6-yl-5-[2-[3-(trifluoromethyl)phenyl]ethyl]-1,3,4-oxadiazole
PubChem CID68663793
Molecular FormulaC18H13F3N4O
Molecular Weight358.32 g/mol
Exact Mass358.10
IUPAC Name2-imidazo[1,2-a]pyridin-6-yl-5-[2-[3-(trifluoromethyl)phenyl]ethyl]-1,3,4-oxadiazole
SMILESFC(F)(F)c1cccc(CCc2nnc(-c3ccc4nccn4c3)o2)c1
InChIInChI=1S/C18H13F3N4O/c19-18(20,21)14-3-1-2-12(10-14)4-7-16-23-24-17(26-16)13-5-6-15-22-8-9-25(15)11-13/h1-3,5-6,8-11H,4,7H2
InChIKeySPDXEWYNOOFXSU-UHFFFAOYSA-N
XLogP4.19
TPSA56.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.32
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-imidazo[1,2-a]pyridin-6-yl-5-[2-[3-(trifluoromethyl)phenyl]ethyl]-1,3,4-oxadiazole?
The IUPAC name of 2-imidazo[1,2-a]pyridin-6-yl-5-[2-[3-(trifluoromethyl)phenyl]ethyl]-1,3,4-oxadiazole (CID 68663793) is 2-imidazo[1,2-a]pyridin-6-yl-5-[2-[3-(trifluoromethyl)phenyl]ethyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-imidazo[1,2-a]pyridin-6-yl-5-[2-[3-(trifluoromethyl)phenyl]ethyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-imidazo[1,2-a]pyridin-6-yl-5-[2-[3-(trifluoromethyl)phenyl]ethyl]-1,3,4-oxadiazole is FC(F)(F)c1cccc(CCc2nnc(-c3ccc4nccn4c3)o2)c1.
What is the InChIKey of 2-imidazo[1,2-a]pyridin-6-yl-5-[2-[3-(trifluoromethyl)phenyl]ethyl]-1,3,4-oxadiazole?
The InChIKey is SPDXEWYNOOFXSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N4O/c19-18(20,21)14-3-1-2-12(10-14)4-7-16-23-24-17(26-16)13-5-6-15-22-8-9-25(15)11-13/h1-3,5-6,8-11H,4,7H2.
What are the key properties of 2-imidazo[1,2-a]pyridin-6-yl-5-[2-[3-(trifluoromethyl)phenyl]ethyl]-1,3,4-oxadiazole?
2-imidazo[1,2-a]pyridin-6-yl-5-[2-[3-(trifluoromethyl)phenyl]ethyl]-1,3,4-oxadiazole has a molecular weight of 358.32 g/mol, XLogP of 4.19, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazo[1,2-a]pyridin-6-yl-5-[2-[3-(trifluoromethyl)phenyl]ethyl]-1,3,4-oxadiazole is sourced from PubChem (CID 68663793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).