3-[2-[4-[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]ethyl]imidazolidine-2,4-dione

C16H24N6O3 — CID 95284690

About 3-[2-[4-[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]ethyl]imidazolidine-2,4-dione

3-[2-[4-[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]ethyl]imidazolidine-2,4-dione (PubChem CID 95284690) has the molecular formula C16H24N6O3 and a molecular weight of 348.41 g/mol. Its IUPAC name is 3-[2-[4-[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]ethyl]imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: 3-[2-[4-[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]ethyl]imidazolidine-2,4-dione
• PubChem CID: 95284690
• Molecular Formula: C16H24N6O3
• Molecular Weight: 348.41 g/mol
• Exact Mass: 348.19
• IUPAC Name: 3-[2-[4-[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]ethyl]imidazolidine-2,4-dione
• SMILES: C[C@H](c1nc(C2CC2)no1)N1CCN(CCN2C(=O)CNC2=O)CC1
• InChI: InChI=1S/C16H24N6O3/c1-11(15-18-14(19-25-15)12-2-3-12)21-7-4-20(5-8-21)6-9-22-13(23)10-17-16(22)24/h11-12H,2-10H2,1H3,(H,17,24)/t11-/m1/s1
• InChIKey: MFOIGUNVJVAYHC-LLVKDONJSA-N
• XLogP: 0.18
• TPSA: 94.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	348.41
LogP ≤ 5	0.18
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 3-[2-[4-[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]ethyl]imidazolidine-2,4-dione?

The IUPAC name of 3-[2-[4-[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]ethyl]imidazolidine-2,4-dione (CID 95284690) is 3-[2-[4-[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]ethyl]imidazolidine-2,4-dione.

What is the SMILES notation for 3-[2-[4-[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]ethyl]imidazolidine-2,4-dione?

The canonical SMILES for 3-[2-[4-[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]ethyl]imidazolidine-2,4-dione is C[C@H](c1nc(C2CC2)no1)N1CCN(CCN2C(=O)CNC2=O)CC1.

What is the InChIKey of 3-[2-[4-[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]ethyl]imidazolidine-2,4-dione?

The InChIKey is MFOIGUNVJVAYHC-LLVKDONJSA-N. The full InChI is InChI=1S/C16H24N6O3/c1-11(15-18-14(19-25-15)12-2-3-12)21-7-4-20(5-8-21)6-9-22-13(23)10-17-16(22)24/h11-12H,2-10H2,1H3,(H,17,24)/t11-/m1/s1.

What are the key properties of 3-[2-[4-[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]ethyl]imidazolidine-2,4-dione?

3-[2-[4-[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]ethyl]imidazolidine-2,4-dione has a molecular weight of 348.41 g/mol, XLogP of 0.18, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-[4-[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]ethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 95284690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).