4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-phenylphthalazin-1-one

C22H13FN4O2 — CID 50928242

IUPAC4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-phenylphthalazin-1-one
SMILESO=c1c2ccccc2c(-c2nc(-c3ccc(F)cc3)no2)nn1-c1ccccc1
InChIInChI=1S/C22H13FN4O2/c23-15-12-10-14(11-13-15)20-24-21(29-26-20)19-17-8-4-5-9-18(17)22(28)27(25-19)16-6-2-1-3-7-16/h1-13H
InChIKeyYLBHQRNPUUIYEH-UHFFFAOYSA-N
MW384.37 g/mol
LogP4.24
Rot. Bonds3

About 4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-phenylphthalazin-1-one

4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-phenylphthalazin-1-one (PubChem CID 50928242) has the molecular formula C22H13FN4O2 and a molecular weight of 384.37 g/mol. Its IUPAC name is 4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-phenylphthalazin-1-one.

Molecular Properties

Compound Name4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-phenylphthalazin-1-one
PubChem CID50928242
Molecular FormulaC22H13FN4O2
Molecular Weight384.37 g/mol
Exact Mass384.10
IUPAC Name4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-phenylphthalazin-1-one
SMILESO=c1c2ccccc2c(-c2nc(-c3ccc(F)cc3)no2)nn1-c1ccccc1
InChIInChI=1S/C22H13FN4O2/c23-15-12-10-14(11-13-15)20-24-21(29-26-20)19-17-8-4-5-9-18(17)22(28)27(25-19)16-6-2-1-3-7-16/h1-13H
InChIKeyYLBHQRNPUUIYEH-UHFFFAOYSA-N
XLogP4.24
TPSA73.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.37
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-phenylphthalazin-1-one?
The IUPAC name of 4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-phenylphthalazin-1-one (CID 50928242) is 4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-phenylphthalazin-1-one.
What is the SMILES notation for 4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-phenylphthalazin-1-one?
The canonical SMILES for 4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-phenylphthalazin-1-one is O=c1c2ccccc2c(-c2nc(-c3ccc(F)cc3)no2)nn1-c1ccccc1.
What is the InChIKey of 4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-phenylphthalazin-1-one?
The InChIKey is YLBHQRNPUUIYEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13FN4O2/c23-15-12-10-14(11-13-15)20-24-21(29-26-20)19-17-8-4-5-9-18(17)22(28)27(25-19)16-6-2-1-3-7-16/h1-13H.
What are the key properties of 4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-phenylphthalazin-1-one?
4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-phenylphthalazin-1-one has a molecular weight of 384.37 g/mol, XLogP of 4.24, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-phenylphthalazin-1-one is sourced from PubChem (CID 50928242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).