3-[2-[3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione

C15H21N5O5 — CID 70778696

About 3-[2-[3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione

3-[2-[3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione (PubChem CID 70778696) has the molecular formula C15H21N5O5 and a molecular weight of 351.36 g/mol. Its IUPAC name is 3-[2-[3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: 3-[2-[3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
• PubChem CID: 70778696
• Molecular Formula: C15H21N5O5
• Molecular Weight: 351.36 g/mol
• Exact Mass: 351.15
• IUPAC Name: 3-[2-[3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
• SMILES: COCCc1noc(C2CCCN(C(=O)CN3C(=O)CNC3=O)C2)n1
• InChI: InChI=1S/C15H21N5O5/c1-24-6-4-11-17-14(25-18-11)10-3-2-5-19(8-10)13(22)9-20-12(21)7-16-15(20)23/h10H,2-9H2,1H3,(H,16,23)
• InChIKey: HYPVOVFVUXIKJR-UHFFFAOYSA-N
• XLogP: -0.48
• TPSA: 117.87 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	351.36
LogP ≤ 5	-0.48
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-[3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione?

The IUPAC name of 3-[2-[3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione (CID 70778696) is 3-[2-[3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione.

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

The canonical SMILES for 3-[2-[3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione is COCCc1noc(C2CCCN(C(=O)CN3C(=O)CNC3=O)C2)n1.

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

The InChIKey is HYPVOVFVUXIKJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O5/c1-24-6-4-11-17-14(25-18-11)10-3-2-5-19(8-10)13(22)9-20-12(21)7-16-15(20)23/h10H,2-9H2,1H3,(H,16,23).

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

3-[2-[3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione has a molecular weight of 351.36 g/mol, XLogP of -0.48, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-[3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 70778696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).