[(1S)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate

C20H24N4O5 — CID 8601054

About [(1S)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate

[(1S)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate (PubChem CID 8601054) has the molecular formula C20H24N4O5 and a molecular weight of 400.44 g/mol. Its IUPAC name is [(1S)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate.

Molecular Properties

• Compound Name: [(1S)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate
• PubChem CID: 8601054
• Molecular Formula: C20H24N4O5
• Molecular Weight: 400.44 g/mol
• Exact Mass: 400.17
• IUPAC Name: [(1S)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate
• SMILES: CCC1(CC)NC(=O)N(CC(=O)O[C@@H](C)c2nnc(-c3ccc(C)cc3)o2)C1=O
• InChI: InChI=1S/C20H24N4O5/c1-5-20(6-2)18(26)24(19(27)21-20)11-15(25)28-13(4)16-22-23-17(29-16)14-9-7-12(3)8-10-14/h7-10,13H,5-6,11H2,1-4H3,(H,21,27)/t13-/m0/s1
• InChIKey: CORQBBMDQHKTCL-ZDUSSCGKSA-N
• XLogP: 2.76
• TPSA: 114.63 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	400.44
LogP ≤ 5	2.76
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 [(1S)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate?

The IUPAC name of [(1S)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate (CID 8601054) is [(1S)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate.

What is the SMILES notation for [(1S)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate?

The canonical SMILES for [(1S)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate is CCC1(CC)NC(=O)N(CC(=O)O[C@@H](C)c2nnc(-c3ccc(C)cc3)o2)C1=O.

What is the InChIKey of [(1S)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate?

The InChIKey is CORQBBMDQHKTCL-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H24N4O5/c1-5-20(6-2)18(26)24(19(27)21-20)11-15(25)28-13(4)16-22-23-17(29-16)14-9-7-12(3)8-10-14/h7-10,13H,5-6,11H2,1-4H3,(H,21,27)/t13-/m0/s1.

What are the key properties of [(1S)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate?

[(1S)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate has a molecular weight of 400.44 g/mol, XLogP of 2.76, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [(1S)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate is sourced from PubChem (CID 8601054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).