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

C21H19ClF3N3O3 — CID 162763694

IUPAC2-[2-[6-chloro-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]-4,5-dihydro-1,3-oxazol-5-yl]propan-2-ol
SMILESCC(C)(O)C1CN=C(c2cn3cc(Cl)cc(-c4ccccc4OCC(F)(F)F)c3n2)O1
InChIInChI=1S/C21H19ClF3N3O3/c1-20(2,29)17-8-26-19(31-17)15-10-28-9-12(22)7-14(18(28)27-15)13-5-3-4-6-16(13)30-11-21(23,24)25/h3-7,9-10,17,29H,8,11H2,1-2H3
InChIKeySQWUQPLXWXHGNA-UHFFFAOYSA-N
MW453.85 g/mol
LogP4.51
Rot. Bonds5

About 2-[2-[6-chloro-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]-4,5-dihydro-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]-4,5-dihydro-1,3-oxazol-5-yl]propan-2-ol (PubChem CID 162763694) has the molecular formula C21H19ClF3N3O3 and a molecular weight of 453.85 g/mol. Its IUPAC name is 2-[2-[6-chloro-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]-4,5-dihydro-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]-4,5-dihydro-1,3-oxazol-5-yl]propan-2-ol
PubChem CID162763694
Molecular FormulaC21H19ClF3N3O3
Molecular Weight453.85 g/mol
Exact Mass453.11
IUPAC Name2-[2-[6-chloro-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]-4,5-dihydro-1,3-oxazol-5-yl]propan-2-ol
SMILESCC(C)(O)C1CN=C(c2cn3cc(Cl)cc(-c4ccccc4OCC(F)(F)F)c3n2)O1
InChIInChI=1S/C21H19ClF3N3O3/c1-20(2,29)17-8-26-19(31-17)15-10-28-9-12(22)7-14(18(28)27-15)13-5-3-4-6-16(13)30-11-21(23,24)25/h3-7,9-10,17,29H,8,11H2,1-2H3
InChIKeySQWUQPLXWXHGNA-UHFFFAOYSA-N
XLogP4.51
TPSA68.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.85
LogP ≤ 54.51
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]-4,5-dihydro-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]-4,5-dihydro-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]-4,5-dihydro-1,3-oxazol-5-yl]propan-2-ol (CID 162763694) is 2-[2-[6-chloro-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]-4,5-dihydro-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]-4,5-dihydro-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]-4,5-dihydro-1,3-oxazol-5-yl]propan-2-ol is CC(C)(O)C1CN=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]-4,5-dihydro-1,3-oxazol-5-yl]propan-2-ol?
The InChIKey is SQWUQPLXWXHGNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClF3N3O3/c1-20(2,29)17-8-26-19(31-17)15-10-28-9-12(22)7-14(18(28)27-15)13-5-3-4-6-16(13)30-11-21(23,24)25/h3-7,9-10,17,29H,8,11H2,1-2H3.
What are the key properties of 2-[2-[6-chloro-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]-4,5-dihydro-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]-4,5-dihydro-1,3-oxazol-5-yl]propan-2-ol has a molecular weight of 453.85 g/mol, XLogP of 4.51, 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]-4,5-dihydro-1,3-oxazol-5-yl]propan-2-ol is sourced from PubChem (CID 162763694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).