4-[[6-[4-(1,2,4-triazol-1-yl)butyl]pyridazin-3-yl]oxymethyl]-2-[2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazole

C23H21F3N6O2 — CID 68938363

IUPAC4-[[6-[4-(1,2,4-triazol-1-yl)butyl]pyridazin-3-yl]oxymethyl]-2-[2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazole
SMILESFC(F)(F)c1ccc(C=Cc2nc(COc3ccc(CCCCn4cncn4)nn3)co2)cc1
InChIInChI=1S/C23H21F3N6O2/c24-23(25,26)18-7-4-17(5-8-18)6-10-21-29-20(13-33-21)14-34-22-11-9-19(30-31-22)3-1-2-12-32-16-27-15-28-32/h4-11,13,15-16H,1-3,12,14H2
InChIKeyZLCWYHLPEPMREJ-UHFFFAOYSA-N
MW470.46 g/mol
LogP4.85
Rot. Bonds10

About 4-[[6-[4-(1,2,4-triazol-1-yl)butyl]pyridazin-3-yl]oxymethyl]-2-[2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazole

4-[[6-[4-(1,2,4-triazol-1-yl)butyl]pyridazin-3-yl]oxymethyl]-2-[2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazole (PubChem CID 68938363) has the molecular formula C23H21F3N6O2 and a molecular weight of 470.46 g/mol. Its IUPAC name is 4-[[6-[4-(1,2,4-triazol-1-yl)butyl]pyridazin-3-yl]oxymethyl]-2-[2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazole.

Molecular Properties

Compound Name4-[[6-[4-(1,2,4-triazol-1-yl)butyl]pyridazin-3-yl]oxymethyl]-2-[2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazole
PubChem CID68938363
Molecular FormulaC23H21F3N6O2
Molecular Weight470.46 g/mol
Exact Mass470.17
IUPAC Name4-[[6-[4-(1,2,4-triazol-1-yl)butyl]pyridazin-3-yl]oxymethyl]-2-[2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazole
SMILESFC(F)(F)c1ccc(C=Cc2nc(COc3ccc(CCCCn4cncn4)nn3)co2)cc1
InChIInChI=1S/C23H21F3N6O2/c24-23(25,26)18-7-4-17(5-8-18)6-10-21-29-20(13-33-21)14-34-22-11-9-19(30-31-22)3-1-2-12-32-16-27-15-28-32/h4-11,13,15-16H,1-3,12,14H2
InChIKeyZLCWYHLPEPMREJ-UHFFFAOYSA-N
XLogP4.85
TPSA91.75 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.46
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-[[6-[4-(1,2,4-triazol-1-yl)butyl]pyridazin-3-yl]oxymethyl]-2-[2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[[6-[4-(1,2,4-triazol-1-yl)butyl]pyridazin-3-yl]oxymethyl]-2-[2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazole?
The IUPAC name of 4-[[6-[4-(1,2,4-triazol-1-yl)butyl]pyridazin-3-yl]oxymethyl]-2-[2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazole (CID 68938363) is 4-[[6-[4-(1,2,4-triazol-1-yl)butyl]pyridazin-3-yl]oxymethyl]-2-[2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazole.
What is the SMILES notation for 4-[[6-[4-(1,2,4-triazol-1-yl)butyl]pyridazin-3-yl]oxymethyl]-2-[2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazole?
The canonical SMILES for 4-[[6-[4-(1,2,4-triazol-1-yl)butyl]pyridazin-3-yl]oxymethyl]-2-[2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazole is FC(F)(F)c1ccc(C=Cc2nc(COc3ccc(CCCCn4cncn4)nn3)co2)cc1.
What is the InChIKey of 4-[[6-[4-(1,2,4-triazol-1-yl)butyl]pyridazin-3-yl]oxymethyl]-2-[2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazole?
The InChIKey is ZLCWYHLPEPMREJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N6O2/c24-23(25,26)18-7-4-17(5-8-18)6-10-21-29-20(13-33-21)14-34-22-11-9-19(30-31-22)3-1-2-12-32-16-27-15-28-32/h4-11,13,15-16H,1-3,12,14H2.
What are the key properties of 4-[[6-[4-(1,2,4-triazol-1-yl)butyl]pyridazin-3-yl]oxymethyl]-2-[2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazole?
4-[[6-[4-(1,2,4-triazol-1-yl)butyl]pyridazin-3-yl]oxymethyl]-2-[2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazole has a molecular weight of 470.46 g/mol, XLogP of 4.85, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-[4-(1,2,4-triazol-1-yl)butyl]pyridazin-3-yl]oxymethyl]-2-[2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazole is sourced from PubChem (CID 68938363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).