(2R)-2-[4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]-2,6-dimethylphenoxy]propan-1-ol

C21H18ClF3N4O3 — CID 46235911

IUPAC(2R)-2-[4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]-2,6-dimethylphenoxy]propan-1-ol
SMILESCc1cc(-c2noc(-c3cn4cc(C(F)(F)F)cc(Cl)c4n3)n2)cc(C)c1O[C@H](C)CO
InChIInChI=1S/C21H18ClF3N4O3/c1-10-4-13(5-11(2)17(10)31-12(3)9-30)18-27-20(32-28-18)16-8-29-7-14(21(23,24)25)6-15(22)19(29)26-16/h4-8,12,30H,9H2,1-3H3/t12-/m1/s1
InChIKeyNOZVTBLGENYNMF-GFCCVEGCSA-N
MW466.85 g/mol
LogP5.10
Rot. Bonds5

About (2R)-2-[4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]-2,6-dimethylphenoxy]propan-1-ol

(2R)-2-[4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]-2,6-dimethylphenoxy]propan-1-ol (PubChem CID 46235911) has the molecular formula C21H18ClF3N4O3 and a molecular weight of 466.85 g/mol. Its IUPAC name is (2R)-2-[4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]-2,6-dimethylphenoxy]propan-1-ol.

Molecular Properties

Compound Name(2R)-2-[4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]-2,6-dimethylphenoxy]propan-1-ol
PubChem CID46235911
Molecular FormulaC21H18ClF3N4O3
Molecular Weight466.85 g/mol
Exact Mass466.10
IUPAC Name(2R)-2-[4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]-2,6-dimethylphenoxy]propan-1-ol
SMILESCc1cc(-c2noc(-c3cn4cc(C(F)(F)F)cc(Cl)c4n3)n2)cc(C)c1O[C@H](C)CO
InChIInChI=1S/C21H18ClF3N4O3/c1-10-4-13(5-11(2)17(10)31-12(3)9-30)18-27-20(32-28-18)16-8-29-7-14(21(23,24)25)6-15(22)19(29)26-16/h4-8,12,30H,9H2,1-3H3/t12-/m1/s1
InChIKeyNOZVTBLGENYNMF-GFCCVEGCSA-N
XLogP5.10
TPSA85.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.85
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (2R)-2-[4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]-2,6-dimethylphenoxy]propan-1-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]-2,6-dimethylphenoxy]propan-1-ol?
The IUPAC name of (2R)-2-[4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]-2,6-dimethylphenoxy]propan-1-ol (CID 46235911) is (2R)-2-[4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]-2,6-dimethylphenoxy]propan-1-ol.
What is the SMILES notation for (2R)-2-[4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]-2,6-dimethylphenoxy]propan-1-ol?
The canonical SMILES for (2R)-2-[4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]-2,6-dimethylphenoxy]propan-1-ol is Cc1cc(-c2noc(-c3cn4cc(C(F)(F)F)cc(Cl)c4n3)n2)cc(C)c1O[C@H](C)CO.
What is the InChIKey of (2R)-2-[4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]-2,6-dimethylphenoxy]propan-1-ol?
The InChIKey is NOZVTBLGENYNMF-GFCCVEGCSA-N. The full InChI is InChI=1S/C21H18ClF3N4O3/c1-10-4-13(5-11(2)17(10)31-12(3)9-30)18-27-20(32-28-18)16-8-29-7-14(21(23,24)25)6-15(22)19(29)26-16/h4-8,12,30H,9H2,1-3H3/t12-/m1/s1.
What are the key properties of (2R)-2-[4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]-2,6-dimethylphenoxy]propan-1-ol?
(2R)-2-[4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]-2,6-dimethylphenoxy]propan-1-ol has a molecular weight of 466.85 g/mol, XLogP of 5.10, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]-2,6-dimethylphenoxy]propan-1-ol is sourced from PubChem (CID 46235911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).