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

C19H12Cl3F3N4O3 — CID 57461208

IUPAC1-[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]propan-2-ol
SMILESCC(O)COc1cc(Cl)c(-c2noc(-c3cn4cc(C(F)(F)F)cc(Cl)c4n3)n2)cc1Cl
InChIInChI=1S/C19H12Cl3F3N4O3/c1-8(30)7-31-15-4-11(20)10(3-12(15)21)16-27-18(32-28-16)14-6-29-5-9(19(23,24)25)2-13(22)17(29)26-14/h2-6,8,30H,7H2,1H3
InChIKeyAVYGGDTUTNKJNK-UHFFFAOYSA-N
MW507.68 g/mol
LogP5.79
Rot. Bonds5

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

1-[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]propan-2-ol (PubChem CID 57461208) has the molecular formula C19H12Cl3F3N4O3 and a molecular weight of 507.68 g/mol. Its IUPAC name is 1-[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]propan-2-ol.

Molecular Properties

Compound Name1-[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]propan-2-ol
PubChem CID57461208
Molecular FormulaC19H12Cl3F3N4O3
Molecular Weight507.68 g/mol
Exact Mass505.99
IUPAC Name1-[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]propan-2-ol
SMILESCC(O)COc1cc(Cl)c(-c2noc(-c3cn4cc(C(F)(F)F)cc(Cl)c4n3)n2)cc1Cl
InChIInChI=1S/C19H12Cl3F3N4O3/c1-8(30)7-31-15-4-11(20)10(3-12(15)21)16-27-18(32-28-16)14-6-29-5-9(19(23,24)25)2-13(22)17(29)26-14/h2-6,8,30H,7H2,1H3
InChIKeyAVYGGDTUTNKJNK-UHFFFAOYSA-N
XLogP5.79
TPSA85.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.68
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]propan-2-ol?
The IUPAC name of 1-[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]propan-2-ol (CID 57461208) is 1-[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]propan-2-ol.
What is the SMILES notation for 1-[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]propan-2-ol?
The canonical SMILES for 1-[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]propan-2-ol is CC(O)COc1cc(Cl)c(-c2noc(-c3cn4cc(C(F)(F)F)cc(Cl)c4n3)n2)cc1Cl.
What is the InChIKey of 1-[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]propan-2-ol?
The InChIKey is AVYGGDTUTNKJNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12Cl3F3N4O3/c1-8(30)7-31-15-4-11(20)10(3-12(15)21)16-27-18(32-28-16)14-6-29-5-9(19(23,24)25)2-13(22)17(29)26-14/h2-6,8,30H,7H2,1H3.
What are the key properties of 1-[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]propan-2-ol?
1-[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]propan-2-ol has a molecular weight of 507.68 g/mol, XLogP of 5.79, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]propan-2-ol is sourced from PubChem (CID 57461208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).