2-phenyl-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)phthalazin-1-one

C21H13N5O2 — CID 50928254

IUPAC2-phenyl-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)phthalazin-1-one
SMILESO=c1c2ccccc2c(-c2nc(-c3cccnc3)no2)nn1-c1ccccc1
InChIInChI=1S/C21H13N5O2/c27-21-17-11-5-4-10-16(17)18(24-26(21)15-8-2-1-3-9-15)20-23-19(25-28-20)14-7-6-12-22-13-14/h1-13H
InChIKeyAFXILDFMJFHYTJ-UHFFFAOYSA-N
MW367.37 g/mol
LogP3.50
Rot. Bonds3

About 2-phenyl-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)phthalazin-1-one

2-phenyl-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)phthalazin-1-one (PubChem CID 50928254) has the molecular formula C21H13N5O2 and a molecular weight of 367.37 g/mol. Its IUPAC name is 2-phenyl-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)phthalazin-1-one.

Molecular Properties

Compound Name2-phenyl-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)phthalazin-1-one
PubChem CID50928254
Molecular FormulaC21H13N5O2
Molecular Weight367.37 g/mol
Exact Mass367.11
IUPAC Name2-phenyl-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)phthalazin-1-one
SMILESO=c1c2ccccc2c(-c2nc(-c3cccnc3)no2)nn1-c1ccccc1
InChIInChI=1S/C21H13N5O2/c27-21-17-11-5-4-10-16(17)18(24-26(21)15-8-2-1-3-9-15)20-23-19(25-28-20)14-7-6-12-22-13-14/h1-13H
InChIKeyAFXILDFMJFHYTJ-UHFFFAOYSA-N
XLogP3.50
TPSA86.70 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.37
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-phenyl-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)phthalazin-1-one with MolForge

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

Launch Full Analysis

Related Compounds

4-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-2-phenylphthalazin-1-one
CID 50928243
2-(4-fluorophenyl)-4-pyridin-3-ylphthalazin-1-one
CID 22079223
2-(4-bromophenyl)-4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]phthalazin-1-one
CID 50928371
4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-(4-methylphenyl)phthalazin-1-one
CID 50928266
4-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]-2-(3-methoxyphenyl)phthalazin-1-one
CID 53082918
4-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]-2-(4-methylphenyl)phthalazin-1-one
CID 53082896
2-(3-bromophenyl)-4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]phthalazin-1-one
CID 53082951
2-(4-methoxyphenyl)-4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]phthalazin-1-one
CID 50928286
2-(3-bromophenyl)-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phthalazin-1-one
CID 50928378
2-(4-methylphenyl)-4-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]phthalazin-1-one
CID 50928283
2-(3-bromophenyl)-4-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]phthalazin-1-one
CID 50928381
2-(3-methylsulfanylphenyl)-4-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]phthalazin-1-one
CID 50928433

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)phthalazin-1-one?
The IUPAC name of 2-phenyl-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)phthalazin-1-one (CID 50928254) is 2-phenyl-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)phthalazin-1-one.
What is the SMILES notation for 2-phenyl-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)phthalazin-1-one?
The canonical SMILES for 2-phenyl-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)phthalazin-1-one is O=c1c2ccccc2c(-c2nc(-c3cccnc3)no2)nn1-c1ccccc1.
What is the InChIKey of 2-phenyl-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)phthalazin-1-one?
The InChIKey is AFXILDFMJFHYTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13N5O2/c27-21-17-11-5-4-10-16(17)18(24-26(21)15-8-2-1-3-9-15)20-23-19(25-28-20)14-7-6-12-22-13-14/h1-13H.
What are the key properties of 2-phenyl-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)phthalazin-1-one?
2-phenyl-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)phthalazin-1-one has a molecular weight of 367.37 g/mol, XLogP of 3.50, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)phthalazin-1-one is sourced from PubChem (CID 50928254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).