5-[3-[5-[3-(4-methoxyphenyl)-3-oxopropyl]-1,2,4-oxadiazol-3-yl]phenyl]-5-methylimidazolidine-2,4-dione

C22H20N4O5 — CID 166213750

IUPAC5-[3-[5-[3-(4-methoxyphenyl)-3-oxopropyl]-1,2,4-oxadiazol-3-yl]phenyl]-5-methylimidazolidine-2,4-dione
SMILESCOc1ccc(C(=O)CCc2nc(-c3cccc(C4(C)NC(=O)NC4=O)c3)no2)cc1
InChIInChI=1S/C22H20N4O5/c1-22(20(28)24-21(29)25-22)15-5-3-4-14(12-15)19-23-18(31-26-19)11-10-17(27)13-6-8-16(30-2)9-7-13/h3-9,12H,10-11H2,1-2H3,(H2,24,25,28,29)
InChIKeyUBADKDGBJQHBFQ-UHFFFAOYSA-N
MW420.43 g/mol
LogP2.62
Rot. Bonds7

About 5-[3-[5-[3-(4-methoxyphenyl)-3-oxopropyl]-1,2,4-oxadiazol-3-yl]phenyl]-5-methylimidazolidine-2,4-dione

5-[3-[5-[3-(4-methoxyphenyl)-3-oxopropyl]-1,2,4-oxadiazol-3-yl]phenyl]-5-methylimidazolidine-2,4-dione (PubChem CID 166213750) has the molecular formula C22H20N4O5 and a molecular weight of 420.43 g/mol. Its IUPAC name is 5-[3-[5-[3-(4-methoxyphenyl)-3-oxopropyl]-1,2,4-oxadiazol-3-yl]phenyl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[3-[5-[3-(4-methoxyphenyl)-3-oxopropyl]-1,2,4-oxadiazol-3-yl]phenyl]-5-methylimidazolidine-2,4-dione
PubChem CID166213750
Molecular FormulaC22H20N4O5
Molecular Weight420.43 g/mol
Exact Mass420.14
IUPAC Name5-[3-[5-[3-(4-methoxyphenyl)-3-oxopropyl]-1,2,4-oxadiazol-3-yl]phenyl]-5-methylimidazolidine-2,4-dione
SMILESCOc1ccc(C(=O)CCc2nc(-c3cccc(C4(C)NC(=O)NC4=O)c3)no2)cc1
InChIInChI=1S/C22H20N4O5/c1-22(20(28)24-21(29)25-22)15-5-3-4-14(12-15)19-23-18(31-26-19)11-10-17(27)13-6-8-16(30-2)9-7-13/h3-9,12H,10-11H2,1-2H3,(H2,24,25,28,29)
InChIKeyUBADKDGBJQHBFQ-UHFFFAOYSA-N
XLogP2.62
TPSA123.42 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.43
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 5-[3-[5-[3-(4-methoxyphenyl)-3-oxopropyl]-1,2,4-oxadiazol-3-yl]phenyl]-5-methylimidazolidine-2,4-dione 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

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-[[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-(1-methoxycyclohexyl)-1,2,4-oxadiazol-3-yl]phenyl]-5-methylimidazolidine-2,4-dione
CID 139002479
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
3-[3-[3-[5-(2-carboxyethyl)-1,2,4-oxadiazol-3-yl]phenyl]-1,2,4-oxadiazol-5-yl]propanoic acid
CID 102054948
3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]propanamide
CID 51949351
3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-phenylpropanamide
CID 2041528
methyl 3-[3-(3-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]propanoate
CID 22343201
3-(3-methoxyphenyl)-5-propyl-1,2,4-oxadiazole
CID 143434606
3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-naphthalen-1-ylpropanamide
CID 100760326
3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methylphenyl)propanamide
CID 3723670
5-methyl-5-[3-[5-(3-methyl-4-oxophthalazin-1-yl)-1,2,4-oxadiazol-3-yl]phenyl]imidazolidine-2,4-dione
CID 154861681

Frequently Asked Questions

What is the IUPAC name of 5-[3-[5-[3-(4-methoxyphenyl)-3-oxopropyl]-1,2,4-oxadiazol-3-yl]phenyl]-5-methylimidazolidine-2,4-dione?
The IUPAC name of 5-[3-[5-[3-(4-methoxyphenyl)-3-oxopropyl]-1,2,4-oxadiazol-3-yl]phenyl]-5-methylimidazolidine-2,4-dione (CID 166213750) is 5-[3-[5-[3-(4-methoxyphenyl)-3-oxopropyl]-1,2,4-oxadiazol-3-yl]phenyl]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 5-[3-[5-[3-(4-methoxyphenyl)-3-oxopropyl]-1,2,4-oxadiazol-3-yl]phenyl]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 5-[3-[5-[3-(4-methoxyphenyl)-3-oxopropyl]-1,2,4-oxadiazol-3-yl]phenyl]-5-methylimidazolidine-2,4-dione is COc1ccc(C(=O)CCc2nc(-c3cccc(C4(C)NC(=O)NC4=O)c3)no2)cc1.
What is the InChIKey of 5-[3-[5-[3-(4-methoxyphenyl)-3-oxopropyl]-1,2,4-oxadiazol-3-yl]phenyl]-5-methylimidazolidine-2,4-dione?
The InChIKey is UBADKDGBJQHBFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O5/c1-22(20(28)24-21(29)25-22)15-5-3-4-14(12-15)19-23-18(31-26-19)11-10-17(27)13-6-8-16(30-2)9-7-13/h3-9,12H,10-11H2,1-2H3,(H2,24,25,28,29).
What are the key properties of 5-[3-[5-[3-(4-methoxyphenyl)-3-oxopropyl]-1,2,4-oxadiazol-3-yl]phenyl]-5-methylimidazolidine-2,4-dione?
5-[3-[5-[3-(4-methoxyphenyl)-3-oxopropyl]-1,2,4-oxadiazol-3-yl]phenyl]-5-methylimidazolidine-2,4-dione has a molecular weight of 420.43 g/mol, XLogP of 2.62, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[5-[3-(4-methoxyphenyl)-3-oxopropyl]-1,2,4-oxadiazol-3-yl]phenyl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 166213750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).