(5R)-3-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-5-methyl-5-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]imidazolidine-2,4-dione

C25H26FN5O5 — CID 52909883

About (5R)-3-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-5-methyl-5-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]imidazolidine-2,4-dione

(5R)-3-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-5-methyl-5-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]imidazolidine-2,4-dione (PubChem CID 52909883) has the molecular formula C25H26FN5O5 and a molecular weight of 495.51 g/mol. Its IUPAC name is (5R)-3-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-5-methyl-5-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: (5R)-3-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-5-methyl-5-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]imidazolidine-2,4-dione
• PubChem CID: 52909883
• Molecular Formula: C25H26FN5O5
• Molecular Weight: 495.51 g/mol
• Exact Mass: 495.19
• IUPAC Name: (5R)-3-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-5-methyl-5-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]imidazolidine-2,4-dione
• SMILES: C[C@]1(c2cccc(N3CCOC3=O)c2)NC(=O)N(CC(=O)N2CCN(c3ccccc3F)CC2)C1=O
• InChI: InChI=1S/C25H26FN5O5/c1-25(17-5-4-6-18(15-17)30-13-14-36-24(30)35)22(33)31(23(34)27-25)16-21(32)29-11-9-28(10-12-29)20-8-3-2-7-19(20)26/h2-8,15H,9-14,16H2,1H3,(H,27,34)/t25-/m1/s1
• InChIKey: XDWXPJQQGSJYDU-RUZDIDTESA-N
• XLogP: 1.90
• TPSA: 102.50 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	495.51
LogP ≤ 5	1.90
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 (5R)-3-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-5-methyl-5-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]imidazolidine-2,4-dione?

The IUPAC name of (5R)-3-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-5-methyl-5-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]imidazolidine-2,4-dione (CID 52909883) is (5R)-3-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-5-methyl-5-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]imidazolidine-2,4-dione.

What is the SMILES notation for (5R)-3-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-5-methyl-5-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]imidazolidine-2,4-dione?

The canonical SMILES for (5R)-3-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-5-methyl-5-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]imidazolidine-2,4-dione is C[C@]1(c2cccc(N3CCOC3=O)c2)NC(=O)N(CC(=O)N2CCN(c3ccccc3F)CC2)C1=O.

What is the InChIKey of (5R)-3-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-5-methyl-5-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]imidazolidine-2,4-dione?

The InChIKey is XDWXPJQQGSJYDU-RUZDIDTESA-N. The full InChI is InChI=1S/C25H26FN5O5/c1-25(17-5-4-6-18(15-17)30-13-14-36-24(30)35)22(33)31(23(34)27-25)16-21(32)29-11-9-28(10-12-29)20-8-3-2-7-19(20)26/h2-8,15H,9-14,16H2,1H3,(H,27,34)/t25-/m1/s1.

What are the key properties of (5R)-3-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-5-methyl-5-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]imidazolidine-2,4-dione?

(5R)-3-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-5-methyl-5-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]imidazolidine-2,4-dione has a molecular weight of 495.51 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-3-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-5-methyl-5-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]imidazolidine-2,4-dione is sourced from PubChem (CID 52909883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).