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

C25H20N4O2 — CID 53082896

IUPAC4-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]-2-(4-methylphenyl)phthalazin-1-one
SMILESCCc1ccc(-c2noc(-c3nn(-c4ccc(C)cc4)c(=O)c4ccccc34)n2)cc1
InChIInChI=1S/C25H20N4O2/c1-3-17-10-12-18(13-11-17)23-26-24(31-28-23)22-20-6-4-5-7-21(20)25(30)29(27-22)19-14-8-16(2)9-15-19/h4-15H,3H2,1-2H3
InChIKeyDWPMVCWZMIOCFC-UHFFFAOYSA-N
MW408.46 g/mol
LogP4.97
Rot. Bonds4

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

4-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]-2-(4-methylphenyl)phthalazin-1-one (PubChem CID 53082896) has the molecular formula C25H20N4O2 and a molecular weight of 408.46 g/mol. Its IUPAC name is 4-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]-2-(4-methylphenyl)phthalazin-1-one.

Molecular Properties

Compound Name4-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]-2-(4-methylphenyl)phthalazin-1-one
PubChem CID53082896
Molecular FormulaC25H20N4O2
Molecular Weight408.46 g/mol
Exact Mass408.16
IUPAC Name4-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]-2-(4-methylphenyl)phthalazin-1-one
SMILESCCc1ccc(-c2noc(-c3nn(-c4ccc(C)cc4)c(=O)c4ccccc34)n2)cc1
InChIInChI=1S/C25H20N4O2/c1-3-17-10-12-18(13-11-17)23-26-24(31-28-23)22-20-6-4-5-7-21(20)25(30)29(27-22)19-14-8-16(2)9-15-19/h4-15H,3H2,1-2H3
InChIKeyDWPMVCWZMIOCFC-UHFFFAOYSA-N
XLogP4.97
TPSA73.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]-2-(4-methylphenyl)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

2-(3-bromophenyl)-4-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]phthalazin-1-one
CID 50928381
4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-(4-methylphenyl)phthalazin-1-one
CID 50928266
2-(4-ethylphenyl)-4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phthalazin-1-one
CID 53082971
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
4-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-(3-methylphenyl)phthalazin-1-one
CID 50928304
2-(4-methoxyphenyl)-4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]phthalazin-1-one
CID 50928286
4-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-(4-ethoxyphenyl)phthalazin-1-one
CID 50928330
2-(4-bromophenyl)-4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]phthalazin-1-one
CID 50928371
2-phenyl-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)phthalazin-1-one
CID 50928254
4-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]-2-(3-methylphenyl)isoquinolin-1-one
CID 53082116
4-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-2-phenylphthalazin-1-one
CID 50928243

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]-2-(4-methylphenyl)phthalazin-1-one?
The IUPAC name of 4-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]-2-(4-methylphenyl)phthalazin-1-one (CID 53082896) is 4-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]-2-(4-methylphenyl)phthalazin-1-one.
What is the SMILES notation for 4-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]-2-(4-methylphenyl)phthalazin-1-one?
The canonical SMILES for 4-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]-2-(4-methylphenyl)phthalazin-1-one is CCc1ccc(-c2noc(-c3nn(-c4ccc(C)cc4)c(=O)c4ccccc34)n2)cc1.
What is the InChIKey of 4-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]-2-(4-methylphenyl)phthalazin-1-one?
The InChIKey is DWPMVCWZMIOCFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N4O2/c1-3-17-10-12-18(13-11-17)23-26-24(31-28-23)22-20-6-4-5-7-21(20)25(30)29(27-22)19-14-8-16(2)9-15-19/h4-15H,3H2,1-2H3.
What are the key properties of 4-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]-2-(4-methylphenyl)phthalazin-1-one?
4-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]-2-(4-methylphenyl)phthalazin-1-one has a molecular weight of 408.46 g/mol, XLogP of 4.97, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]-2-(4-methylphenyl)phthalazin-1-one is sourced from PubChem (CID 53082896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).