5-[6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]-1,3-oxazole

C20H13F3N6O — CID 122510396

IUPAC5-[6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]-1,3-oxazole
SMILESFc1ccc(-c2ncn(CC(F)F)c2-c2ccc3ncc(-c4cnco4)n3n2)cc1
InChIInChI=1S/C20H13F3N6O/c21-13-3-1-12(2-4-13)19-20(28(10-26-19)9-17(22)23)14-5-6-18-25-7-15(29(18)27-14)16-8-24-11-30-16/h1-8,10-11,17H,9H2
InChIKeyFFARGLZRLVWCLR-UHFFFAOYSA-N
MW410.36 g/mol
LogP4.32
Rot. Bonds5

About 5-[6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]-1,3-oxazole

5-[6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]-1,3-oxazole (PubChem CID 122510396) has the molecular formula C20H13F3N6O and a molecular weight of 410.36 g/mol. Its IUPAC name is 5-[6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]-1,3-oxazole.

Molecular Properties

Compound Name5-[6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]-1,3-oxazole
PubChem CID122510396
Molecular FormulaC20H13F3N6O
Molecular Weight410.36 g/mol
Exact Mass410.11
IUPAC Name5-[6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]-1,3-oxazole
SMILESFc1ccc(-c2ncn(CC(F)F)c2-c2ccc3ncc(-c4cnco4)n3n2)cc1
InChIInChI=1S/C20H13F3N6O/c21-13-3-1-12(2-4-13)19-20(28(10-26-19)9-17(22)23)14-5-6-18-25-7-15(29(18)27-14)16-8-24-11-30-16/h1-8,10-11,17H,9H2
InChIKeyFFARGLZRLVWCLR-UHFFFAOYSA-N
XLogP4.32
TPSA74.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.36
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

Triazolopyridine oxazole inhibitor 53
CID 23647338
6-(2,4-Difluorophenyl)-5-(3-isopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)imidazo[2,1-b]oxazole
CID 25134688
2-(6-(6-(2,4-Difluorophenyl)imidazo[2,1-b]oxazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propan-2-ol
CID 25167840
1-(6-(6-(2,4-Difluorophenyl)imidazo[2,1-b]oxazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-2-methylpropan-2-ol
CID 49830801
N-(6-(4-(4-fluorophenyl)-1,2-dimethyl-1H-imidazol-5-yl) imidazo[1,2-b]pyridazin-2-yl)-1,3-oxazole-4-carboxamide
CID 118538828
US9884868, Example 207''
CID 122510944
US10829492, Example 27
CID 134480568
US10738057, Example 71
CID 155884313
US11597728, Example 413
CID 168058689
2-[6-[6-(2,4-Difluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-2-methylpropan-1-ol
CID 49830803
US12414952, Example 4.10
CID 153593737
2-cyclopropyl-5-[6-[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,3,4-oxadiazole
CID 10179349

Frequently Asked Questions

What is the IUPAC name of 5-[6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]-1,3-oxazole?
The IUPAC name of 5-[6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]-1,3-oxazole (CID 122510396) is 5-[6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]-1,3-oxazole.
What is the SMILES notation for 5-[6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]-1,3-oxazole?
The canonical SMILES for 5-[6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]-1,3-oxazole is Fc1ccc(-c2ncn(CC(F)F)c2-c2ccc3ncc(-c4cnco4)n3n2)cc1.
What is the InChIKey of 5-[6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]-1,3-oxazole?
The InChIKey is FFARGLZRLVWCLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F3N6O/c21-13-3-1-12(2-4-13)19-20(28(10-26-19)9-17(22)23)14-5-6-18-25-7-15(29(18)27-14)16-8-24-11-30-16/h1-8,10-11,17H,9H2.
What are the key properties of 5-[6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]-1,3-oxazole?
5-[6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]-1,3-oxazole has a molecular weight of 410.36 g/mol, XLogP of 4.32, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]-1,3-oxazole is sourced from PubChem (CID 122510396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).