5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-[2-(3-fluorophenoxy)ethyl]pyridazin-3-one

C15H11F3N4O3 — CID 156507315

IUPAC5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-[2-(3-fluorophenoxy)ethyl]pyridazin-3-one
SMILESO=c1cc(-c2nnc(C(F)F)o2)cnn1CCOc1cccc(F)c1
InChIInChI=1S/C15H11F3N4O3/c16-10-2-1-3-11(7-10)24-5-4-22-12(23)6-9(8-19-22)14-20-21-15(25-14)13(17)18/h1-3,6-8,13H,4-5H2
InChIKeyHUXSUQSYQSKZBI-UHFFFAOYSA-N
MW352.27 g/mol
LogP2.45
Rot. Bonds6

About 5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-[2-(3-fluorophenoxy)ethyl]pyridazin-3-one

5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-[2-(3-fluorophenoxy)ethyl]pyridazin-3-one (PubChem CID 156507315) has the molecular formula C15H11F3N4O3 and a molecular weight of 352.27 g/mol. Its IUPAC name is 5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-[2-(3-fluorophenoxy)ethyl]pyridazin-3-one.

Molecular Properties

Compound Name5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-[2-(3-fluorophenoxy)ethyl]pyridazin-3-one
PubChem CID156507315
Molecular FormulaC15H11F3N4O3
Molecular Weight352.27 g/mol
Exact Mass352.08
IUPAC Name5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-[2-(3-fluorophenoxy)ethyl]pyridazin-3-one
SMILESO=c1cc(-c2nnc(C(F)F)o2)cnn1CCOc1cccc(F)c1
InChIInChI=1S/C15H11F3N4O3/c16-10-2-1-3-11(7-10)24-5-4-22-12(23)6-9(8-19-22)14-20-21-15(25-14)13(17)18/h1-3,6-8,13H,4-5H2
InChIKeyHUXSUQSYQSKZBI-UHFFFAOYSA-N
XLogP2.45
TPSA83.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.27
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-[2-(3-fluorophenoxy)ethyl]pyridazin-3-one?
The IUPAC name of 5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-[2-(3-fluorophenoxy)ethyl]pyridazin-3-one (CID 156507315) is 5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-[2-(3-fluorophenoxy)ethyl]pyridazin-3-one.
What is the SMILES notation for 5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-[2-(3-fluorophenoxy)ethyl]pyridazin-3-one?
The canonical SMILES for 5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-[2-(3-fluorophenoxy)ethyl]pyridazin-3-one is O=c1cc(-c2nnc(C(F)F)o2)cnn1CCOc1cccc(F)c1.
What is the InChIKey of 5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-[2-(3-fluorophenoxy)ethyl]pyridazin-3-one?
The InChIKey is HUXSUQSYQSKZBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N4O3/c16-10-2-1-3-11(7-10)24-5-4-22-12(23)6-9(8-19-22)14-20-21-15(25-14)13(17)18/h1-3,6-8,13H,4-5H2.
What are the key properties of 5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-[2-(3-fluorophenoxy)ethyl]pyridazin-3-one?
5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-[2-(3-fluorophenoxy)ethyl]pyridazin-3-one has a molecular weight of 352.27 g/mol, XLogP of 2.45, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-[2-(3-fluorophenoxy)ethyl]pyridazin-3-one is sourced from PubChem (CID 156507315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).