2-[2,5-dimethyl-4-[5-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]propan-1-ol

C20H18F3N5O3 — CID 163426483

IUPAC2-[2,5-dimethyl-4-[5-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]propan-1-ol
SMILESCc1cc(-c2noc(-c3cn4nc(C(F)(F)F)ccc4n3)n2)c(C)cc1OC(C)CO
InChIInChI=1S/C20H18F3N5O3/c1-10-7-15(30-12(3)9-29)11(2)6-13(10)18-25-19(31-27-18)14-8-28-17(24-14)5-4-16(26-28)20(21,22)23/h4-8,12,29H,9H2,1-3H3
InChIKeyAMYPALHTQCSZGG-UHFFFAOYSA-N
MW433.39 g/mol
LogP3.84
Rot. Bonds5

About 2-[2,5-dimethyl-4-[5-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]propan-1-ol

2-[2,5-dimethyl-4-[5-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]propan-1-ol (PubChem CID 163426483) has the molecular formula C20H18F3N5O3 and a molecular weight of 433.39 g/mol. Its IUPAC name is 2-[2,5-dimethyl-4-[5-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]propan-1-ol.

Molecular Properties

Compound Name2-[2,5-dimethyl-4-[5-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]propan-1-ol
PubChem CID163426483
Molecular FormulaC20H18F3N5O3
Molecular Weight433.39 g/mol
Exact Mass433.14
IUPAC Name2-[2,5-dimethyl-4-[5-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]propan-1-ol
SMILESCc1cc(-c2noc(-c3cn4nc(C(F)(F)F)ccc4n3)n2)c(C)cc1OC(C)CO
InChIInChI=1S/C20H18F3N5O3/c1-10-7-15(30-12(3)9-29)11(2)6-13(10)18-25-19(31-27-18)14-8-28-17(24-14)5-4-16(26-28)20(21,22)23/h4-8,12,29H,9H2,1-3H3
InChIKeyAMYPALHTQCSZGG-UHFFFAOYSA-N
XLogP3.84
TPSA98.57 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.39
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[2,5-dimethyl-4-[5-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]propan-1-ol?
The IUPAC name of 2-[2,5-dimethyl-4-[5-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]propan-1-ol (CID 163426483) is 2-[2,5-dimethyl-4-[5-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]propan-1-ol.
What is the SMILES notation for 2-[2,5-dimethyl-4-[5-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]propan-1-ol?
The canonical SMILES for 2-[2,5-dimethyl-4-[5-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]propan-1-ol is Cc1cc(-c2noc(-c3cn4nc(C(F)(F)F)ccc4n3)n2)c(C)cc1OC(C)CO.
What is the InChIKey of 2-[2,5-dimethyl-4-[5-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]propan-1-ol?
The InChIKey is AMYPALHTQCSZGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N5O3/c1-10-7-15(30-12(3)9-29)11(2)6-13(10)18-25-19(31-27-18)14-8-28-17(24-14)5-4-16(26-28)20(21,22)23/h4-8,12,29H,9H2,1-3H3.
What are the key properties of 2-[2,5-dimethyl-4-[5-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]propan-1-ol?
2-[2,5-dimethyl-4-[5-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]propan-1-ol has a molecular weight of 433.39 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,5-dimethyl-4-[5-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]propan-1-ol is sourced from PubChem (CID 163426483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).