5-methyl-5-[3-[5-(3-methyl-4-oxophthalazin-1-yl)-1,2,4-oxadiazol-3-yl]phenyl]imidazolidine-2,4-dione

C21H16N6O4 — CID 154861681

IUPAC5-methyl-5-[3-[5-(3-methyl-4-oxophthalazin-1-yl)-1,2,4-oxadiazol-3-yl]phenyl]imidazolidine-2,4-dione
SMILESCn1nc(-c2nc(-c3cccc(C4(C)NC(=O)NC4=O)c3)no2)c2ccccc2c1=O
InChIInChI=1S/C21H16N6O4/c1-21(19(29)23-20(30)24-21)12-7-5-6-11(10-12)16-22-17(31-26-16)15-13-8-3-4-9-14(13)18(28)27(2)25-15/h3-10H,1-2H3,(H2,23,24,29,30)
InChIKeyQEPSFPZSGPMODA-UHFFFAOYSA-N
MW416.40 g/mol
LogP1.71
Rot. Bonds3

About 5-methyl-5-[3-[5-(3-methyl-4-oxophthalazin-1-yl)-1,2,4-oxadiazol-3-yl]phenyl]imidazolidine-2,4-dione

5-methyl-5-[3-[5-(3-methyl-4-oxophthalazin-1-yl)-1,2,4-oxadiazol-3-yl]phenyl]imidazolidine-2,4-dione (PubChem CID 154861681) has the molecular formula C21H16N6O4 and a molecular weight of 416.40 g/mol. Its IUPAC name is 5-methyl-5-[3-[5-(3-methyl-4-oxophthalazin-1-yl)-1,2,4-oxadiazol-3-yl]phenyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-methyl-5-[3-[5-(3-methyl-4-oxophthalazin-1-yl)-1,2,4-oxadiazol-3-yl]phenyl]imidazolidine-2,4-dione
PubChem CID154861681
Molecular FormulaC21H16N6O4
Molecular Weight416.40 g/mol
Exact Mass416.12
IUPAC Name5-methyl-5-[3-[5-(3-methyl-4-oxophthalazin-1-yl)-1,2,4-oxadiazol-3-yl]phenyl]imidazolidine-2,4-dione
SMILESCn1nc(-c2nc(-c3cccc(C4(C)NC(=O)NC4=O)c3)no2)c2ccccc2c1=O
InChIInChI=1S/C21H16N6O4/c1-21(19(29)23-20(30)24-21)12-7-5-6-11(10-12)16-22-17(31-26-16)15-13-8-3-4-9-14(13)18(28)27(2)25-15/h3-10H,1-2H3,(H2,23,24,29,30)
InChIKeyQEPSFPZSGPMODA-UHFFFAOYSA-N
XLogP1.71
TPSA132.01 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.40
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

5-[3-[5-[1-(4-fluorophenyl)pyrazol-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]-5-methylimidazolidine-2,4-dione
CID 166213656
5-[3-[5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,2,4-oxadiazol-3-yl]phenyl]-5-methylimidazolidine-2,4-dione
CID 167828481
5-[3-[5-(1-methoxycyclohexyl)-1,2,4-oxadiazol-3-yl]phenyl]-5-methylimidazolidine-2,4-dione
CID 139002479
5-methyl-5-[3-[5-[(2-oxo-1H-quinolin-3-yl)methyl]-1,2,4-oxadiazol-3-yl]phenyl]imidazolidine-2,4-dione
CID 154838574
5-[3-[5-(3,4-dihydro-1H-isochromen-1-yl)-1,2,4-oxadiazol-3-yl]phenyl]-5-methylimidazolidine-2,4-dione
CID 154838582
5-[3-[5-[[4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]phenyl]-5-methylimidazolidine-2,4-dione
CID 154838576
5-[3-[5-[3-(4-methoxyphenyl)-3-oxopropyl]-1,2,4-oxadiazol-3-yl]phenyl]-5-methylimidazolidine-2,4-dione
CID 166213750
5-methyl-5-[3-[5-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1,2,4-oxadiazol-3-yl]phenyl]imidazolidine-2,4-dione
CID 154838563
4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-(4-methylphenyl)phthalazin-1-one
CID 50928266
4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-(2-methylphenyl)phthalazin-1-one
CID 50928440
5-[4-[5-(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)-1,2,4-oxadiazol-3-yl]phenyl]-5-methylimidazolidine-2,4-dione
CID 167840439
2-(4-methoxyphenyl)-4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]phthalazin-1-one
CID 50928286

Frequently Asked Questions

What is the IUPAC name of 5-methyl-5-[3-[5-(3-methyl-4-oxophthalazin-1-yl)-1,2,4-oxadiazol-3-yl]phenyl]imidazolidine-2,4-dione?
The IUPAC name of 5-methyl-5-[3-[5-(3-methyl-4-oxophthalazin-1-yl)-1,2,4-oxadiazol-3-yl]phenyl]imidazolidine-2,4-dione (CID 154861681) is 5-methyl-5-[3-[5-(3-methyl-4-oxophthalazin-1-yl)-1,2,4-oxadiazol-3-yl]phenyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-methyl-5-[3-[5-(3-methyl-4-oxophthalazin-1-yl)-1,2,4-oxadiazol-3-yl]phenyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-methyl-5-[3-[5-(3-methyl-4-oxophthalazin-1-yl)-1,2,4-oxadiazol-3-yl]phenyl]imidazolidine-2,4-dione is Cn1nc(-c2nc(-c3cccc(C4(C)NC(=O)NC4=O)c3)no2)c2ccccc2c1=O.
What is the InChIKey of 5-methyl-5-[3-[5-(3-methyl-4-oxophthalazin-1-yl)-1,2,4-oxadiazol-3-yl]phenyl]imidazolidine-2,4-dione?
The InChIKey is QEPSFPZSGPMODA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N6O4/c1-21(19(29)23-20(30)24-21)12-7-5-6-11(10-12)16-22-17(31-26-16)15-13-8-3-4-9-14(13)18(28)27(2)25-15/h3-10H,1-2H3,(H2,23,24,29,30).
What are the key properties of 5-methyl-5-[3-[5-(3-methyl-4-oxophthalazin-1-yl)-1,2,4-oxadiazol-3-yl]phenyl]imidazolidine-2,4-dione?
5-methyl-5-[3-[5-(3-methyl-4-oxophthalazin-1-yl)-1,2,4-oxadiazol-3-yl]phenyl]imidazolidine-2,4-dione has a molecular weight of 416.40 g/mol, XLogP of 1.71, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-5-[3-[5-(3-methyl-4-oxophthalazin-1-yl)-1,2,4-oxadiazol-3-yl]phenyl]imidazolidine-2,4-dione is sourced from PubChem (CID 154861681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).