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

C23H30FN5O4 — CID 146575781

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

N-[[(5S)-3-[3-fluoro-4-[4-[[5-(methylaminomethyl)furan-2-yl]methyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 146575781) has the molecular formula C23H30FN5O4 and a molecular weight of 459.52 g/mol. Its IUPAC name is N-[[(5S)-3-[3-fluoro-4-[4-[[5-(methylaminomethyl)furan-2-yl]methyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

• Compound Name: N-[[(5S)-3-[3-fluoro-4-[4-[[5-(methylaminomethyl)furan-2-yl]methyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
• PubChem CID: 146575781
• Molecular Formula: C23H30FN5O4
• Molecular Weight: 459.52 g/mol
• Exact Mass: 459.23
• IUPAC Name: N-[[(5S)-3-[3-fluoro-4-[4-[[5-(methylaminomethyl)furan-2-yl]methyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
• SMILES: CNCc1ccc(CN2CCN(c3ccc(N4C[C@H](CNC(C)=O)OC4=O)cc3F)CC2)o1
• InChI: InChI=1S/C23H30FN5O4/c1-16(30)26-13-20-15-29(23(31)33-20)17-3-6-22(21(24)11-17)28-9-7-27(8-10-28)14-19-5-4-18(32-19)12-25-2/h3-6,11,20,25H,7-10,12-15H2,1-2H3,(H,26,30)/t20-/m0/s1
• InChIKey: ADVWQLPQPJDZQV-FQEVSTJZSA-N
• XLogP: 1.92
• TPSA: 90.29 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	459.52
LogP ≤ 5	1.92
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

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-[3-fluoro-4-[4-[[5-(methylaminomethyl)furan-2-yl]methyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?

The IUPAC name of N-[[(5S)-3-[3-fluoro-4-[4-[[5-(methylaminomethyl)furan-2-yl]methyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 146575781) is N-[[(5S)-3-[3-fluoro-4-[4-[[5-(methylaminomethyl)furan-2-yl]methyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

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

The canonical SMILES for N-[[(5S)-3-[3-fluoro-4-[4-[[5-(methylaminomethyl)furan-2-yl]methyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CNCc1ccc(CN2CCN(c3ccc(N4C[C@H](CNC(C)=O)OC4=O)cc3F)CC2)o1.

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

The InChIKey is ADVWQLPQPJDZQV-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H30FN5O4/c1-16(30)26-13-20-15-29(23(31)33-20)17-3-6-22(21(24)11-17)28-9-7-27(8-10-28)14-19-5-4-18(32-19)12-25-2/h3-6,11,20,25H,7-10,12-15H2,1-2H3,(H,26,30)/t20-/m0/s1.

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

N-[[(5S)-3-[3-fluoro-4-[4-[[5-(methylaminomethyl)furan-2-yl]methyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 459.52 g/mol, XLogP of 1.92, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[(5S)-3-[3-fluoro-4-[4-[[5-(methylaminomethyl)furan-2-yl]methyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 146575781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).