5-[(4-fluorophenoxy)methyl]-3-(3-imidazo[1,2-b]pyridazin-2-ylphenyl)-1,2,4-oxadiazole

C21H14FN5O2 — CID 42623094

IUPAC5-[(4-fluorophenoxy)methyl]-3-(3-imidazo[1,2-b]pyridazin-2-ylphenyl)-1,2,4-oxadiazole
SMILESFc1ccc(OCc2nc(-c3cccc(-c4cn5ncccc5n4)c3)no2)cc1
InChIInChI=1S/C21H14FN5O2/c22-16-6-8-17(9-7-16)28-13-20-25-21(26-29-20)15-4-1-3-14(11-15)18-12-27-19(24-18)5-2-10-23-27/h1-12H,13H2
InChIKeyJPWLGKSCPIYEIN-UHFFFAOYSA-N
MW387.37 g/mol
LogP4.16
Rot. Bonds5

About 5-[(4-fluorophenoxy)methyl]-3-(3-imidazo[1,2-b]pyridazin-2-ylphenyl)-1,2,4-oxadiazole

5-[(4-fluorophenoxy)methyl]-3-(3-imidazo[1,2-b]pyridazin-2-ylphenyl)-1,2,4-oxadiazole (PubChem CID 42623094) has the molecular formula C21H14FN5O2 and a molecular weight of 387.37 g/mol. Its IUPAC name is 5-[(4-fluorophenoxy)methyl]-3-(3-imidazo[1,2-b]pyridazin-2-ylphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(4-fluorophenoxy)methyl]-3-(3-imidazo[1,2-b]pyridazin-2-ylphenyl)-1,2,4-oxadiazole
PubChem CID42623094
Molecular FormulaC21H14FN5O2
Molecular Weight387.37 g/mol
Exact Mass387.11
IUPAC Name5-[(4-fluorophenoxy)methyl]-3-(3-imidazo[1,2-b]pyridazin-2-ylphenyl)-1,2,4-oxadiazole
SMILESFc1ccc(OCc2nc(-c3cccc(-c4cn5ncccc5n4)c3)no2)cc1
InChIInChI=1S/C21H14FN5O2/c22-16-6-8-17(9-7-16)28-13-20-25-21(26-29-20)15-4-1-3-14(11-15)18-12-27-19(24-18)5-2-10-23-27/h1-12H,13H2
InChIKeyJPWLGKSCPIYEIN-UHFFFAOYSA-N
XLogP4.16
TPSA78.34 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.37
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenoxy)methyl]-3-(3-imidazo[1,2-b]pyridazin-2-ylphenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[(4-fluorophenoxy)methyl]-3-(3-imidazo[1,2-b]pyridazin-2-ylphenyl)-1,2,4-oxadiazole (CID 42623094) is 5-[(4-fluorophenoxy)methyl]-3-(3-imidazo[1,2-b]pyridazin-2-ylphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(4-fluorophenoxy)methyl]-3-(3-imidazo[1,2-b]pyridazin-2-ylphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[(4-fluorophenoxy)methyl]-3-(3-imidazo[1,2-b]pyridazin-2-ylphenyl)-1,2,4-oxadiazole is Fc1ccc(OCc2nc(-c3cccc(-c4cn5ncccc5n4)c3)no2)cc1.
What is the InChIKey of 5-[(4-fluorophenoxy)methyl]-3-(3-imidazo[1,2-b]pyridazin-2-ylphenyl)-1,2,4-oxadiazole?
The InChIKey is JPWLGKSCPIYEIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14FN5O2/c22-16-6-8-17(9-7-16)28-13-20-25-21(26-29-20)15-4-1-3-14(11-15)18-12-27-19(24-18)5-2-10-23-27/h1-12H,13H2.
What are the key properties of 5-[(4-fluorophenoxy)methyl]-3-(3-imidazo[1,2-b]pyridazin-2-ylphenyl)-1,2,4-oxadiazole?
5-[(4-fluorophenoxy)methyl]-3-(3-imidazo[1,2-b]pyridazin-2-ylphenyl)-1,2,4-oxadiazole has a molecular weight of 387.37 g/mol, XLogP of 4.16, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenoxy)methyl]-3-(3-imidazo[1,2-b]pyridazin-2-ylphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 42623094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).