N-[[(5S)-3-[4-[4-[[5-(1,3-dioxan-2-yl)furan-2-yl]methyl]piperazin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

C25H31FN4O6 — CID 10207311

About N-[[(5S)-3-[4-[4-[[5-(1,3-dioxan-2-yl)furan-2-yl]methyl]piperazin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

N-[[(5S)-3-[4-[4-[[5-(1,3-dioxan-2-yl)furan-2-yl]methyl]piperazin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 10207311) has the molecular formula C25H31FN4O6 and a molecular weight of 502.54 g/mol. Its IUPAC name is N-[[(5S)-3-[4-[4-[[5-(1,3-dioxan-2-yl)furan-2-yl]methyl]piperazin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

• Compound Name: N-[[(5S)-3-[4-[4-[[5-(1,3-dioxan-2-yl)furan-2-yl]methyl]piperazin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
• PubChem CID: 10207311
• Molecular Formula: C25H31FN4O6
• Molecular Weight: 502.54 g/mol
• Exact Mass: 502.22
• IUPAC Name: N-[[(5S)-3-[4-[4-[[5-(1,3-dioxan-2-yl)furan-2-yl]methyl]piperazin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
• SMILES: CC(=O)NC[C@H]1CN(c2ccc(N3CCN(Cc4ccc(C5OCCCO5)o4)CC3)c(F)c2)C(=O)O1
• InChI: InChI=1S/C25H31FN4O6/c1-17(31)27-14-20-16-30(25(32)36-20)18-3-5-22(21(26)13-18)29-9-7-28(8-10-29)15-19-4-6-23(35-19)24-33-11-2-12-34-24/h3-6,13,20,24H,2,7-12,14-16H2,1H3,(H,27,31)/t20-/m0/s1
• InChIKey: XIHRLAADWBENEG-FQEVSTJZSA-N
• XLogP: 2.64
• TPSA: 96.72 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	502.54
LogP ≤ 5	2.64
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-[4-[4-[[5-(1,3-dioxan-2-yl)furan-2-yl]methyl]piperazin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?

The IUPAC name of N-[[(5S)-3-[4-[4-[[5-(1,3-dioxan-2-yl)furan-2-yl]methyl]piperazin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 10207311) is N-[[(5S)-3-[4-[4-[[5-(1,3-dioxan-2-yl)furan-2-yl]methyl]piperazin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

What is the SMILES notation for N-[[(5S)-3-[4-[4-[[5-(1,3-dioxan-2-yl)furan-2-yl]methyl]piperazin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?

The canonical SMILES for N-[[(5S)-3-[4-[4-[[5-(1,3-dioxan-2-yl)furan-2-yl]methyl]piperazin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NC[C@H]1CN(c2ccc(N3CCN(Cc4ccc(C5OCCCO5)o4)CC3)c(F)c2)C(=O)O1.

What is the InChIKey of N-[[(5S)-3-[4-[4-[[5-(1,3-dioxan-2-yl)furan-2-yl]methyl]piperazin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?

The InChIKey is XIHRLAADWBENEG-FQEVSTJZSA-N. The full InChI is InChI=1S/C25H31FN4O6/c1-17(31)27-14-20-16-30(25(32)36-20)18-3-5-22(21(26)13-18)29-9-7-28(8-10-29)15-19-4-6-23(35-19)24-33-11-2-12-34-24/h3-6,13,20,24H,2,7-12,14-16H2,1H3,(H,27,31)/t20-/m0/s1.

What are the key properties of N-[[(5S)-3-[4-[4-[[5-(1,3-dioxan-2-yl)furan-2-yl]methyl]piperazin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?

N-[[(5S)-3-[4-[4-[[5-(1,3-dioxan-2-yl)furan-2-yl]methyl]piperazin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 502.54 g/mol, XLogP of 2.64, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[(5S)-3-[4-[4-[[5-(1,3-dioxan-2-yl)furan-2-yl]methyl]piperazin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 10207311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).