[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]methanol

C20H17ClF3N3O3 — CID 162763692

IUPAC[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]methanol
SMILESCC1(CO)CN=C(c2cn3cc(Cl)cc(-c4ccccc4OCC(F)(F)F)c3n2)O1
InChIInChI=1S/C20H17ClF3N3O3/c1-19(10-28)9-25-18(30-19)15-8-27-7-12(21)6-14(17(27)26-15)13-4-2-3-5-16(13)29-11-20(22,23)24/h2-8,28H,9-11H2,1H3
InChIKeyRMBCKEHJIMDLDF-UHFFFAOYSA-N
MW439.82 g/mol
LogP4.12
Rot. Bonds5

About [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]methanol

[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]methanol (PubChem CID 162763692) has the molecular formula C20H17ClF3N3O3 and a molecular weight of 439.82 g/mol. Its IUPAC name is [2-[6-chloro-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]-5-methyl-4H-1,3-oxazol-5-yl]methanol.

Molecular Properties

Compound Name[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]methanol
PubChem CID162763692
Molecular FormulaC20H17ClF3N3O3
Molecular Weight439.82 g/mol
Exact Mass439.09
IUPAC Name[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]methanol
SMILESCC1(CO)CN=C(c2cn3cc(Cl)cc(-c4ccccc4OCC(F)(F)F)c3n2)O1
InChIInChI=1S/C20H17ClF3N3O3/c1-19(10-28)9-25-18(30-19)15-8-27-7-12(21)6-14(17(27)26-15)13-4-2-3-5-16(13)29-11-20(22,23)24/h2-8,28H,9-11H2,1H3
InChIKeyRMBCKEHJIMDLDF-UHFFFAOYSA-N
XLogP4.12
TPSA68.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.82
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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-methyl-4H-1,3-oxazol-5-yl]methanol?
The IUPAC name of [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]methanol (CID 162763692) is [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]methanol.
What is the SMILES notation for [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]methanol?
The canonical SMILES for [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]methanol is CC1(CO)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-methyl-4H-1,3-oxazol-5-yl]methanol?
The InChIKey is RMBCKEHJIMDLDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClF3N3O3/c1-19(10-28)9-25-18(30-19)15-8-27-7-12(21)6-14(17(27)26-15)13-4-2-3-5-16(13)29-11-20(22,23)24/h2-8,28H,9-11H2,1H3.
What are the key properties of [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]methanol?
[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]methanol has a molecular weight of 439.82 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 6 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-methyl-4H-1,3-oxazol-5-yl]methanol is sourced from PubChem (CID 162763692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).