(5R)-3-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-5-(2-methylpropyl)imidazolidine-2,4-dione

C19H24N4O5 — CID 124631510

About (5R)-3-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-5-(2-methylpropyl)imidazolidine-2,4-dione

(5R)-3-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-5-(2-methylpropyl)imidazolidine-2,4-dione (PubChem CID 124631510) has the molecular formula C19H24N4O5 and a molecular weight of 388.42 g/mol. Its IUPAC name is (5R)-3-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-5-(2-methylpropyl)imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: (5R)-3-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-5-(2-methylpropyl)imidazolidine-2,4-dione
• PubChem CID: 124631510
• Molecular Formula: C19H24N4O5
• Molecular Weight: 388.42 g/mol
• Exact Mass: 388.17
• IUPAC Name: (5R)-3-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-5-(2-methylpropyl)imidazolidine-2,4-dione
• SMILES: COc1ccc(-c2noc(CN3C(=O)N[C@](C)(CC(C)C)C3=O)n2)cc1OC
• InChI: InChI=1S/C19H24N4O5/c1-11(2)9-19(3)17(24)23(18(25)21-19)10-15-20-16(22-28-15)12-6-7-13(26-4)14(8-12)27-5/h6-8,11H,9-10H2,1-5H3,(H,21,25)/t19-/m1/s1
• InChIKey: ZEEOCNKHSPXVGS-LJQANCHMSA-N
• XLogP: 2.61
• TPSA: 106.79 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	388.42
LogP ≤ 5	2.61
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

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-methyl-5-(2-methylpropyl)imidazolidine-2,4-dione?

The IUPAC name of (5R)-3-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-5-(2-methylpropyl)imidazolidine-2,4-dione (CID 124631510) is (5R)-3-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-5-(2-methylpropyl)imidazolidine-2,4-dione.

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

The canonical SMILES for (5R)-3-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-5-(2-methylpropyl)imidazolidine-2,4-dione is COc1ccc(-c2noc(CN3C(=O)N[C@](C)(CC(C)C)C3=O)n2)cc1OC.

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

The InChIKey is ZEEOCNKHSPXVGS-LJQANCHMSA-N. The full InChI is InChI=1S/C19H24N4O5/c1-11(2)9-19(3)17(24)23(18(25)21-19)10-15-20-16(22-28-15)12-6-7-13(26-4)14(8-12)27-5/h6-8,11H,9-10H2,1-5H3,(H,21,25)/t19-/m1/s1.

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

(5R)-3-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-5-(2-methylpropyl)imidazolidine-2,4-dione has a molecular weight of 388.42 g/mol, XLogP of 2.61, 7 rotatable bonds, 1 hydrogen bond donors, and 7 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-methyl-5-(2-methylpropyl)imidazolidine-2,4-dione is sourced from PubChem (CID 124631510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).