3-[2-oxo-2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione

C17H17N5O4 — CID 70726934

About 3-[2-oxo-2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione

3-[2-oxo-2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione (PubChem CID 70726934) has the molecular formula C17H17N5O4 and a molecular weight of 355.35 g/mol. Its IUPAC name is 3-[2-oxo-2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: 3-[2-oxo-2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione
• PubChem CID: 70726934
• Molecular Formula: C17H17N5O4
• Molecular Weight: 355.35 g/mol
• Exact Mass: 355.13
• IUPAC Name: 3-[2-oxo-2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione
• SMILES: O=C1CNC(=O)N1CC(=O)N1CCCC1c1nc(-c2ccccc2)no1
• InChI: InChI=1S/C17H17N5O4/c23-13-9-18-17(25)22(13)10-14(24)21-8-4-7-12(21)16-19-15(20-26-16)11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2,(H,18,25)
• InChIKey: CGAVKJPJUWVLKD-UHFFFAOYSA-N
• XLogP: 0.95
• TPSA: 108.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	355.35
LogP ≤ 5	0.95
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[2-oxo-2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione?

The IUPAC name of 3-[2-oxo-2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione (CID 70726934) is 3-[2-oxo-2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione.

What is the SMILES notation for 3-[2-oxo-2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione?

The canonical SMILES for 3-[2-oxo-2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione is O=C1CNC(=O)N1CC(=O)N1CCCC1c1nc(-c2ccccc2)no1.

What is the InChIKey of 3-[2-oxo-2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione?

The InChIKey is CGAVKJPJUWVLKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O4/c23-13-9-18-17(25)22(13)10-14(24)21-8-4-7-12(21)16-19-15(20-26-16)11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2,(H,18,25).

What are the key properties of 3-[2-oxo-2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione?

3-[2-oxo-2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione has a molecular weight of 355.35 g/mol, XLogP of 0.95, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-oxo-2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 70726934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).