2-[6-chloro-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]-5,5-dimethyl-4H-1,3-oxazole

C20H17ClF3N3O2 — CID 162763690

IUPAC2-[6-chloro-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]-5,5-dimethyl-4H-1,3-oxazole
SMILESCC1(C)CN=C(c2cn3cc(Cl)cc(-c4ccccc4OCC(F)(F)F)c3n2)O1
InChIInChI=1S/C20H17ClF3N3O2/c1-19(2)10-25-18(29-19)15-9-27-8-12(21)7-14(17(27)26-15)13-5-3-4-6-16(13)28-11-20(22,23)24/h3-9H,10-11H2,1-2H3
InChIKeyAGJUOHXKMNYHFJ-UHFFFAOYSA-N
MW423.82 g/mol
LogP5.15
Rot. Bonds4

About 2-[6-chloro-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]-5,5-dimethyl-4H-1,3-oxazole

2-[6-chloro-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]-5,5-dimethyl-4H-1,3-oxazole (PubChem CID 162763690) has the molecular formula C20H17ClF3N3O2 and a molecular weight of 423.82 g/mol. Its IUPAC name is 2-[6-chloro-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]-5,5-dimethyl-4H-1,3-oxazole.

Molecular Properties

Compound Name2-[6-chloro-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]-5,5-dimethyl-4H-1,3-oxazole
PubChem CID162763690
Molecular FormulaC20H17ClF3N3O2
Molecular Weight423.82 g/mol
Exact Mass423.10
IUPAC Name2-[6-chloro-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]-5,5-dimethyl-4H-1,3-oxazole
SMILESCC1(C)CN=C(c2cn3cc(Cl)cc(-c4ccccc4OCC(F)(F)F)c3n2)O1
InChIInChI=1S/C20H17ClF3N3O2/c1-19(2)10-25-18(29-19)15-9-27-8-12(21)7-14(17(27)26-15)13-5-3-4-6-16(13)28-11-20(22,23)24/h3-9H,10-11H2,1-2H3
InChIKeyAGJUOHXKMNYHFJ-UHFFFAOYSA-N
XLogP5.15
TPSA48.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.82
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[6-chloro-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]-5,5-dimethyl-4H-1,3-oxazole?
The IUPAC name of 2-[6-chloro-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]-5,5-dimethyl-4H-1,3-oxazole (CID 162763690) is 2-[6-chloro-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]-5,5-dimethyl-4H-1,3-oxazole.
What is the SMILES notation for 2-[6-chloro-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]-5,5-dimethyl-4H-1,3-oxazole?
The canonical SMILES for 2-[6-chloro-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]-5,5-dimethyl-4H-1,3-oxazole is CC1(C)CN=C(c2cn3cc(Cl)cc(-c4ccccc4OCC(F)(F)F)c3n2)O1.
What is the InChIKey of 2-[6-chloro-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]-5,5-dimethyl-4H-1,3-oxazole?
The InChIKey is AGJUOHXKMNYHFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClF3N3O2/c1-19(2)10-25-18(29-19)15-9-27-8-12(21)7-14(17(27)26-15)13-5-3-4-6-16(13)28-11-20(22,23)24/h3-9H,10-11H2,1-2H3.
What are the key properties of 2-[6-chloro-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]-5,5-dimethyl-4H-1,3-oxazole?
2-[6-chloro-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]-5,5-dimethyl-4H-1,3-oxazole has a molecular weight of 423.82 g/mol, XLogP of 5.15, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-chloro-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]-5,5-dimethyl-4H-1,3-oxazole is sourced from PubChem (CID 162763690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).