2-[2-[6-chloro-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]-5-methyl-4H-1,3-oxazol-5-yl]propan-2-ol

C22H21ClF3N3O3 — CID 162763767

IUPAC2-[2-[6-chloro-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]-5-methyl-4H-1,3-oxazol-5-yl]propan-2-ol
SMILESCC(C)(O)C1(C)CN=C(c2cn3cc(Cl)cc(-c4ccccc4OCC(F)(F)F)c3n2)O1
InChIInChI=1S/C22H21ClF3N3O3/c1-20(2,30)21(3)11-27-19(32-21)16-10-29-9-13(23)8-15(18(29)28-16)14-6-4-5-7-17(14)31-12-22(24,25)26/h4-10,30H,11-12H2,1-3H3
InChIKeyFYPYCMFQIQHRCF-UHFFFAOYSA-N
MW467.88 g/mol
LogP4.90
Rot. Bonds5

About 2-[2-[6-chloro-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]-5-methyl-4H-1,3-oxazol-5-yl]propan-2-ol

2-[2-[6-chloro-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]-5-methyl-4H-1,3-oxazol-5-yl]propan-2-ol (PubChem CID 162763767) has the molecular formula C22H21ClF3N3O3 and a molecular weight of 467.88 g/mol. Its IUPAC name is 2-[2-[6-chloro-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]-5-methyl-4H-1,3-oxazol-5-yl]propan-2-ol.

Molecular Properties

Compound Name2-[2-[6-chloro-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]-5-methyl-4H-1,3-oxazol-5-yl]propan-2-ol
PubChem CID162763767
Molecular FormulaC22H21ClF3N3O3
Molecular Weight467.88 g/mol
Exact Mass467.12
IUPAC Name2-[2-[6-chloro-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]-5-methyl-4H-1,3-oxazol-5-yl]propan-2-ol
SMILESCC(C)(O)C1(C)CN=C(c2cn3cc(Cl)cc(-c4ccccc4OCC(F)(F)F)c3n2)O1
InChIInChI=1S/C22H21ClF3N3O3/c1-20(2,30)21(3)11-27-19(32-21)16-10-29-9-13(23)8-15(18(29)28-16)14-6-4-5-7-17(14)31-12-22(24,25)26/h4-10,30H,11-12H2,1-3H3
InChIKeyFYPYCMFQIQHRCF-UHFFFAOYSA-N
XLogP4.90
TPSA68.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.88
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[2-[6-chloro-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]-5-methyl-4H-1,3-oxazol-5-yl]propan-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[6-chloro-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]-5-methyl-4H-1,3-oxazol-5-yl]propan-2-ol?
The IUPAC name of 2-[2-[6-chloro-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]-5-methyl-4H-1,3-oxazol-5-yl]propan-2-ol (CID 162763767) is 2-[2-[6-chloro-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]-5-methyl-4H-1,3-oxazol-5-yl]propan-2-ol.
What is the SMILES notation for 2-[2-[6-chloro-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]-5-methyl-4H-1,3-oxazol-5-yl]propan-2-ol?
The canonical SMILES for 2-[2-[6-chloro-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]-5-methyl-4H-1,3-oxazol-5-yl]propan-2-ol is CC(C)(O)C1(C)CN=C(c2cn3cc(Cl)cc(-c4ccccc4OCC(F)(F)F)c3n2)O1.
What is the InChIKey of 2-[2-[6-chloro-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]-5-methyl-4H-1,3-oxazol-5-yl]propan-2-ol?
The InChIKey is FYPYCMFQIQHRCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClF3N3O3/c1-20(2,30)21(3)11-27-19(32-21)16-10-29-9-13(23)8-15(18(29)28-16)14-6-4-5-7-17(14)31-12-22(24,25)26/h4-10,30H,11-12H2,1-3H3.
What are the key properties of 2-[2-[6-chloro-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]-5-methyl-4H-1,3-oxazol-5-yl]propan-2-ol?
2-[2-[6-chloro-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]-5-methyl-4H-1,3-oxazol-5-yl]propan-2-ol has a molecular weight of 467.88 g/mol, XLogP of 4.90, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[6-chloro-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]-5-methyl-4H-1,3-oxazol-5-yl]propan-2-ol is sourced from PubChem (CID 162763767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).