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

C20H16Cl2F2N4O3 — CID 91557958

IUPAC2-[3-chloro-4-[5-[8-chloro-6-(1,1-difluoroethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]propan-1-ol
SMILESCC(CO)Oc1ccc(-c2noc(-c3cn4cc(C(C)(F)F)cc(Cl)c4n3)n2)c(Cl)c1
InChIInChI=1S/C20H16Cl2F2N4O3/c1-10(9-29)30-12-3-4-13(14(21)6-12)17-26-19(31-27-17)16-8-28-7-11(20(2,23)24)5-15(22)18(28)25-16/h3-8,10,29H,9H2,1-2H3
InChIKeyARPPVMDTDSZRSP-UHFFFAOYSA-N
MW469.28 g/mol
LogP5.23
Rot. Bonds6

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

2-[3-chloro-4-[5-[8-chloro-6-(1,1-difluoroethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]propan-1-ol (PubChem CID 91557958) has the molecular formula C20H16Cl2F2N4O3 and a molecular weight of 469.28 g/mol. Its IUPAC name is 2-[3-chloro-4-[5-[8-chloro-6-(1,1-difluoroethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]propan-1-ol.

Molecular Properties

Compound Name2-[3-chloro-4-[5-[8-chloro-6-(1,1-difluoroethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]propan-1-ol
PubChem CID91557958
Molecular FormulaC20H16Cl2F2N4O3
Molecular Weight469.28 g/mol
Exact Mass468.06
IUPAC Name2-[3-chloro-4-[5-[8-chloro-6-(1,1-difluoroethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]propan-1-ol
SMILESCC(CO)Oc1ccc(-c2noc(-c3cn4cc(C(C)(F)F)cc(Cl)c4n3)n2)c(Cl)c1
InChIInChI=1S/C20H16Cl2F2N4O3/c1-10(9-29)30-12-3-4-13(14(21)6-12)17-26-19(31-27-17)16-8-28-7-11(20(2,23)24)5-15(22)18(28)25-16/h3-8,10,29H,9H2,1-2H3
InChIKeyARPPVMDTDSZRSP-UHFFFAOYSA-N
XLogP5.23
TPSA85.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.28
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-4-[5-[8-chloro-6-(1,1-difluoroethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]propan-1-ol?
The IUPAC name of 2-[3-chloro-4-[5-[8-chloro-6-(1,1-difluoroethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]propan-1-ol (CID 91557958) is 2-[3-chloro-4-[5-[8-chloro-6-(1,1-difluoroethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]propan-1-ol.
What is the SMILES notation for 2-[3-chloro-4-[5-[8-chloro-6-(1,1-difluoroethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]propan-1-ol?
The canonical SMILES for 2-[3-chloro-4-[5-[8-chloro-6-(1,1-difluoroethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]propan-1-ol is CC(CO)Oc1ccc(-c2noc(-c3cn4cc(C(C)(F)F)cc(Cl)c4n3)n2)c(Cl)c1.
What is the InChIKey of 2-[3-chloro-4-[5-[8-chloro-6-(1,1-difluoroethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]propan-1-ol?
The InChIKey is ARPPVMDTDSZRSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16Cl2F2N4O3/c1-10(9-29)30-12-3-4-13(14(21)6-12)17-26-19(31-27-17)16-8-28-7-11(20(2,23)24)5-15(22)18(28)25-16/h3-8,10,29H,9H2,1-2H3.
What are the key properties of 2-[3-chloro-4-[5-[8-chloro-6-(1,1-difluoroethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]propan-1-ol?
2-[3-chloro-4-[5-[8-chloro-6-(1,1-difluoroethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]propan-1-ol has a molecular weight of 469.28 g/mol, XLogP of 5.23, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-4-[5-[8-chloro-6-(1,1-difluoroethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]propan-1-ol is sourced from PubChem (CID 91557958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).