N-[[(5S)-3-[3-fluoro-4-[3-methoxy-4-[(E)-morpholin-4-yliminomethyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

C24H27FN4O5 — CID 155526025

About N-[[(5S)-3-[3-fluoro-4-[3-methoxy-4-[(E)-morpholin-4-yliminomethyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

N-[[(5S)-3-[3-fluoro-4-[3-methoxy-4-[(E)-morpholin-4-yliminomethyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 155526025) has the molecular formula C24H27FN4O5 and a molecular weight of 470.50 g/mol. Its IUPAC name is N-[[(5S)-3-[3-fluoro-4-[3-methoxy-4-[(E)-morpholin-4-yliminomethyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

• Compound Name: N-[[(5S)-3-[3-fluoro-4-[3-methoxy-4-[(E)-morpholin-4-yliminomethyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
• PubChem CID: 155526025
• Molecular Formula: C24H27FN4O5
• Molecular Weight: 470.50 g/mol
• Exact Mass: 470.20
• IUPAC Name: N-[[(5S)-3-[3-fluoro-4-[3-methoxy-4-[(E)-morpholin-4-yliminomethyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
• SMILES: COc1cc(-c2ccc(N3C[C@H](CNC(C)=O)OC3=O)cc2F)ccc1/C=N/N1CCOCC1
• InChI: InChI=1S/C24H27FN4O5/c1-16(30)26-14-20-15-29(24(31)34-20)19-5-6-21(22(25)12-19)17-3-4-18(23(11-17)32-2)13-27-28-7-9-33-10-8-28/h3-6,11-13,20H,7-10,14-15H2,1-2H3,(H,26,30)/b27-13+/t20-/m0/s1
• InChIKey: SVWPHHWYBGIGPV-ZAHDWXQSSA-N
• XLogP: 2.63
• TPSA: 92.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	470.50
LogP ≤ 5	2.63
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-[3-fluoro-4-[3-methoxy-4-[(E)-morpholin-4-yliminomethyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?

The IUPAC name of N-[[(5S)-3-[3-fluoro-4-[3-methoxy-4-[(E)-morpholin-4-yliminomethyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 155526025) is N-[[(5S)-3-[3-fluoro-4-[3-methoxy-4-[(E)-morpholin-4-yliminomethyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

What is the SMILES notation for N-[[(5S)-3-[3-fluoro-4-[3-methoxy-4-[(E)-morpholin-4-yliminomethyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?

The canonical SMILES for N-[[(5S)-3-[3-fluoro-4-[3-methoxy-4-[(E)-morpholin-4-yliminomethyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is COc1cc(-c2ccc(N3C[C@H](CNC(C)=O)OC3=O)cc2F)ccc1/C=N/N1CCOCC1.

What is the InChIKey of N-[[(5S)-3-[3-fluoro-4-[3-methoxy-4-[(E)-morpholin-4-yliminomethyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?

The InChIKey is SVWPHHWYBGIGPV-ZAHDWXQSSA-N. The full InChI is InChI=1S/C24H27FN4O5/c1-16(30)26-14-20-15-29(24(31)34-20)19-5-6-21(22(25)12-19)17-3-4-18(23(11-17)32-2)13-27-28-7-9-33-10-8-28/h3-6,11-13,20H,7-10,14-15H2,1-2H3,(H,26,30)/b27-13+/t20-/m0/s1.

What are the key properties of N-[[(5S)-3-[3-fluoro-4-[3-methoxy-4-[(E)-morpholin-4-yliminomethyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?

N-[[(5S)-3-[3-fluoro-4-[3-methoxy-4-[(E)-morpholin-4-yliminomethyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 470.50 g/mol, XLogP of 2.63, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[(5S)-3-[3-fluoro-4-[3-methoxy-4-[(E)-morpholin-4-yliminomethyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 155526025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).