6-(4-fluorophenyl)-2-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]pyridazin-3-one

C20H12F4N4O2 — CID 27375104

IUPAC6-(4-fluorophenyl)-2-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]pyridazin-3-one
SMILESO=c1ccc(-c2ccc(F)cc2)nn1Cc1nc(-c2ccc(C(F)(F)F)cc2)no1
InChIInChI=1S/C20H12F4N4O2/c21-15-7-3-12(4-8-15)16-9-10-18(29)28(26-16)11-17-25-19(27-30-17)13-1-5-14(6-2-13)20(22,23)24/h1-10H,11H2
InChIKeyZIAPXXLTZIJYLQ-UHFFFAOYSA-N
MW416.33 g/mol
LogP4.17
Rot. Bonds4

About 6-(4-fluorophenyl)-2-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]pyridazin-3-one

6-(4-fluorophenyl)-2-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]pyridazin-3-one (PubChem CID 27375104) has the molecular formula C20H12F4N4O2 and a molecular weight of 416.33 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-2-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]pyridazin-3-one.

Molecular Properties

Compound Name6-(4-fluorophenyl)-2-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]pyridazin-3-one
PubChem CID27375104
Molecular FormulaC20H12F4N4O2
Molecular Weight416.33 g/mol
Exact Mass416.09
IUPAC Name6-(4-fluorophenyl)-2-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]pyridazin-3-one
SMILESO=c1ccc(-c2ccc(F)cc2)nn1Cc1nc(-c2ccc(C(F)(F)F)cc2)no1
InChIInChI=1S/C20H12F4N4O2/c21-15-7-3-12(4-8-15)16-9-10-18(29)28(26-16)11-17-25-19(27-30-17)13-1-5-14(6-2-13)20(22,23)24/h1-10H,11H2
InChIKeyZIAPXXLTZIJYLQ-UHFFFAOYSA-N
XLogP4.17
TPSA73.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.33
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-2-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]pyridazin-3-one?
The IUPAC name of 6-(4-fluorophenyl)-2-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]pyridazin-3-one (CID 27375104) is 6-(4-fluorophenyl)-2-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]pyridazin-3-one.
What is the SMILES notation for 6-(4-fluorophenyl)-2-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]pyridazin-3-one?
The canonical SMILES for 6-(4-fluorophenyl)-2-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]pyridazin-3-one is O=c1ccc(-c2ccc(F)cc2)nn1Cc1nc(-c2ccc(C(F)(F)F)cc2)no1.
What is the InChIKey of 6-(4-fluorophenyl)-2-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]pyridazin-3-one?
The InChIKey is ZIAPXXLTZIJYLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12F4N4O2/c21-15-7-3-12(4-8-15)16-9-10-18(29)28(26-16)11-17-25-19(27-30-17)13-1-5-14(6-2-13)20(22,23)24/h1-10H,11H2.
What are the key properties of 6-(4-fluorophenyl)-2-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]pyridazin-3-one?
6-(4-fluorophenyl)-2-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]pyridazin-3-one has a molecular weight of 416.33 g/mol, XLogP of 4.17, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-2-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]pyridazin-3-one is sourced from PubChem (CID 27375104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).