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

C19H12Cl2F4N4O3 — CID 46234534

IUPAC2-[5-chloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]-2-fluorophenoxy]propan-1-ol
SMILESCC(CO)Oc1cc(Cl)c(-c2noc(-c3cn4cc(C(F)(F)F)cc(Cl)c4n3)n2)cc1F
InChIInChI=1S/C19H12Cl2F4N4O3/c1-8(7-30)31-15-4-11(20)10(3-13(15)22)16-27-18(32-28-16)14-6-29-5-9(19(23,24)25)2-12(21)17(29)26-14/h2-6,8,30H,7H2,1H3
InChIKeyJGUZKUPBFNRGNC-UHFFFAOYSA-N
MW491.23 g/mol
LogP5.28
Rot. Bonds5

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

2-[5-chloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]-2-fluorophenoxy]propan-1-ol (PubChem CID 46234534) has the molecular formula C19H12Cl2F4N4O3 and a molecular weight of 491.23 g/mol. Its IUPAC name is 2-[5-chloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]-2-fluorophenoxy]propan-1-ol.

Molecular Properties

Compound Name2-[5-chloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]-2-fluorophenoxy]propan-1-ol
PubChem CID46234534
Molecular FormulaC19H12Cl2F4N4O3
Molecular Weight491.23 g/mol
Exact Mass490.02
IUPAC Name2-[5-chloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]-2-fluorophenoxy]propan-1-ol
SMILESCC(CO)Oc1cc(Cl)c(-c2noc(-c3cn4cc(C(F)(F)F)cc(Cl)c4n3)n2)cc1F
InChIInChI=1S/C19H12Cl2F4N4O3/c1-8(7-30)31-15-4-11(20)10(3-13(15)22)16-27-18(32-28-16)14-6-29-5-9(19(23,24)25)2-12(21)17(29)26-14/h2-6,8,30H,7H2,1H3
InChIKeyJGUZKUPBFNRGNC-UHFFFAOYSA-N
XLogP5.28
TPSA85.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.23
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]-2-fluorophenoxy]propan-1-ol?
The IUPAC name of 2-[5-chloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]-2-fluorophenoxy]propan-1-ol (CID 46234534) is 2-[5-chloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]-2-fluorophenoxy]propan-1-ol.
What is the SMILES notation for 2-[5-chloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]-2-fluorophenoxy]propan-1-ol?
The canonical SMILES for 2-[5-chloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]-2-fluorophenoxy]propan-1-ol is CC(CO)Oc1cc(Cl)c(-c2noc(-c3cn4cc(C(F)(F)F)cc(Cl)c4n3)n2)cc1F.
What is the InChIKey of 2-[5-chloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]-2-fluorophenoxy]propan-1-ol?
The InChIKey is JGUZKUPBFNRGNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12Cl2F4N4O3/c1-8(7-30)31-15-4-11(20)10(3-13(15)22)16-27-18(32-28-16)14-6-29-5-9(19(23,24)25)2-12(21)17(29)26-14/h2-6,8,30H,7H2,1H3.
What are the key properties of 2-[5-chloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]-2-fluorophenoxy]propan-1-ol?
2-[5-chloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]-2-fluorophenoxy]propan-1-ol has a molecular weight of 491.23 g/mol, XLogP of 5.28, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-chloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]-2-fluorophenoxy]propan-1-ol is sourced from PubChem (CID 46234534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).