(5R)-3-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-[2-(4-methoxyphenyl)ethyl]-5-methylimidazolidine-2,4-dione

C24H26N4O6 — CID 40891442

About (5R)-3-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-[2-(4-methoxyphenyl)ethyl]-5-methylimidazolidine-2,4-dione

(5R)-3-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-[2-(4-methoxyphenyl)ethyl]-5-methylimidazolidine-2,4-dione (PubChem CID 40891442) has the molecular formula C24H26N4O6 and a molecular weight of 466.49 g/mol. Its IUPAC name is (5R)-3-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-[2-(4-methoxyphenyl)ethyl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

• Compound Name: (5R)-3-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-[2-(4-methoxyphenyl)ethyl]-5-methylimidazolidine-2,4-dione
• PubChem CID: 40891442
• Molecular Formula: C24H26N4O6
• Molecular Weight: 466.49 g/mol
• Exact Mass: 466.19
• IUPAC Name: (5R)-3-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-[2-(4-methoxyphenyl)ethyl]-5-methylimidazolidine-2,4-dione
• SMILES: COc1ccc(CC[C@@]2(C)NC(=O)N(Cc3nc(-c4ccc(OC)c(OC)c4)no3)C2=O)cc1
• InChI: InChI=1S/C24H26N4O6/c1-24(12-11-15-5-8-17(31-2)9-6-15)22(29)28(23(30)26-24)14-20-25-21(27-34-20)16-7-10-18(32-3)19(13-16)33-4/h5-10,13H,11-12,14H2,1-4H3,(H,26,30)/t24-/m1/s1
• InChIKey: YOYMQEUGROBNSS-XMMPIXPASA-N
• XLogP: 3.21
• TPSA: 116.02 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	466.49
LogP ≤ 5	3.21
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (5R)-3-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-[2-(4-methoxyphenyl)ethyl]-5-methylimidazolidine-2,4-dione?

The IUPAC name of (5R)-3-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-[2-(4-methoxyphenyl)ethyl]-5-methylimidazolidine-2,4-dione (CID 40891442) is (5R)-3-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-[2-(4-methoxyphenyl)ethyl]-5-methylimidazolidine-2,4-dione.

What is the SMILES notation for (5R)-3-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-[2-(4-methoxyphenyl)ethyl]-5-methylimidazolidine-2,4-dione?

The canonical SMILES for (5R)-3-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-[2-(4-methoxyphenyl)ethyl]-5-methylimidazolidine-2,4-dione is COc1ccc(CC[C@@]2(C)NC(=O)N(Cc3nc(-c4ccc(OC)c(OC)c4)no3)C2=O)cc1.

What is the InChIKey of (5R)-3-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-[2-(4-methoxyphenyl)ethyl]-5-methylimidazolidine-2,4-dione?

The InChIKey is YOYMQEUGROBNSS-XMMPIXPASA-N. The full InChI is InChI=1S/C24H26N4O6/c1-24(12-11-15-5-8-17(31-2)9-6-15)22(29)28(23(30)26-24)14-20-25-21(27-34-20)16-7-10-18(32-3)19(13-16)33-4/h5-10,13H,11-12,14H2,1-4H3,(H,26,30)/t24-/m1/s1.

What are the key properties of (5R)-3-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-[2-(4-methoxyphenyl)ethyl]-5-methylimidazolidine-2,4-dione?

(5R)-3-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-[2-(4-methoxyphenyl)ethyl]-5-methylimidazolidine-2,4-dione has a molecular weight of 466.49 g/mol, XLogP of 3.21, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-3-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-[2-(4-methoxyphenyl)ethyl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 40891442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).