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

C16H18N4O5 — CID 18166894

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

5-(3,4-dimethoxyphenyl)-5-methyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]imidazolidine-2,4-dione (PubChem CID 18166894) has the molecular formula C16H18N4O5 and a molecular weight of 346.34 g/mol. Its IUPAC name is 5-(3,4-dimethoxyphenyl)-5-methyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: 5-(3,4-dimethoxyphenyl)-5-methyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]imidazolidine-2,4-dione
• PubChem CID: 18166894
• Molecular Formula: C16H18N4O5
• Molecular Weight: 346.34 g/mol
• Exact Mass: 346.13
• IUPAC Name: 5-(3,4-dimethoxyphenyl)-5-methyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]imidazolidine-2,4-dione
• SMILES: COc1ccc(C2(C)NC(=O)N(Cc3nc(C)no3)C2=O)cc1OC
• InChI: InChI=1S/C16H18N4O5/c1-9-17-13(25-19-9)8-20-14(21)16(2,18-15(20)22)10-5-6-11(23-3)12(7-10)24-4/h5-7H,8H2,1-4H3,(H,18,22)
• InChIKey: LKEZFPNUJKTJDP-UHFFFAOYSA-N
• XLogP: 1.36
• TPSA: 106.79 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	346.34
LogP ≤ 5	1.36
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 5-(3,4-dimethoxyphenyl)-5-methyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]imidazolidine-2,4-dione?

The IUPAC name of 5-(3,4-dimethoxyphenyl)-5-methyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]imidazolidine-2,4-dione (CID 18166894) is 5-(3,4-dimethoxyphenyl)-5-methyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]imidazolidine-2,4-dione.

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

The canonical SMILES for 5-(3,4-dimethoxyphenyl)-5-methyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]imidazolidine-2,4-dione is COc1ccc(C2(C)NC(=O)N(Cc3nc(C)no3)C2=O)cc1OC.

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

The InChIKey is LKEZFPNUJKTJDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O5/c1-9-17-13(25-19-9)8-20-14(21)16(2,18-15(20)22)10-5-6-11(23-3)12(7-10)24-4/h5-7H,8H2,1-4H3,(H,18,22).

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

5-(3,4-dimethoxyphenyl)-5-methyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]imidazolidine-2,4-dione has a molecular weight of 346.34 g/mol, XLogP of 1.36, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(3,4-dimethoxyphenyl)-5-methyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 18166894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).