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

C23H15FN4O2 — CID 50928266

IUPAC4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-(4-methylphenyl)phthalazin-1-one
SMILESCc1ccc(-n2nc(-c3nc(-c4cccc(F)c4)no3)c3ccccc3c2=O)cc1
InChIInChI=1S/C23H15FN4O2/c1-14-9-11-17(12-10-14)28-23(29)19-8-3-2-7-18(19)20(26-28)22-25-21(27-30-22)15-5-4-6-16(24)13-15/h2-13H,1H3
InChIKeyOYJCLGBSBTVFCL-UHFFFAOYSA-N
MW398.40 g/mol
LogP4.55
Rot. Bonds3

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

4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-(4-methylphenyl)phthalazin-1-one (PubChem CID 50928266) has the molecular formula C23H15FN4O2 and a molecular weight of 398.40 g/mol. Its IUPAC name is 4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-(4-methylphenyl)phthalazin-1-one.

Molecular Properties

Compound Name4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-(4-methylphenyl)phthalazin-1-one
PubChem CID50928266
Molecular FormulaC23H15FN4O2
Molecular Weight398.40 g/mol
Exact Mass398.12
IUPAC Name4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-(4-methylphenyl)phthalazin-1-one
SMILESCc1ccc(-n2nc(-c3nc(-c4cccc(F)c4)no3)c3ccccc3c2=O)cc1
InChIInChI=1S/C23H15FN4O2/c1-14-9-11-17(12-10-14)28-23(29)19-8-3-2-7-18(19)20(26-28)22-25-21(27-30-22)15-5-4-6-16(24)13-15/h2-13H,1H3
InChIKeyOYJCLGBSBTVFCL-UHFFFAOYSA-N
XLogP4.55
TPSA73.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.40
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-(4-methylphenyl)phthalazin-1-one?
The IUPAC name of 4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-(4-methylphenyl)phthalazin-1-one (CID 50928266) is 4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-(4-methylphenyl)phthalazin-1-one.
What is the SMILES notation for 4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-(4-methylphenyl)phthalazin-1-one?
The canonical SMILES for 4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-(4-methylphenyl)phthalazin-1-one is Cc1ccc(-n2nc(-c3nc(-c4cccc(F)c4)no3)c3ccccc3c2=O)cc1.
What is the InChIKey of 4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-(4-methylphenyl)phthalazin-1-one?
The InChIKey is OYJCLGBSBTVFCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15FN4O2/c1-14-9-11-17(12-10-14)28-23(29)19-8-3-2-7-18(19)20(26-28)22-25-21(27-30-22)15-5-4-6-16(24)13-15/h2-13H,1H3.
What are the key properties of 4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-(4-methylphenyl)phthalazin-1-one?
4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-(4-methylphenyl)phthalazin-1-one has a molecular weight of 398.40 g/mol, XLogP of 4.55, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-(4-methylphenyl)phthalazin-1-one is sourced from PubChem (CID 50928266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).