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

C28H30FN5O4 — CID 15541030

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

N-[[(5S)-3-[3-fluoro-4-[4-[[3-[(E)-2-phenylethenyl]-1,2-oxazol-5-yl]methyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 15541030) has the molecular formula C28H30FN5O4 and a molecular weight of 519.58 g/mol. Its IUPAC name is N-[[(5S)-3-[3-fluoro-4-[4-[[3-[(E)-2-phenylethenyl]-1,2-oxazol-5-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-[[3-[(E)-2-phenylethenyl]-1,2-oxazol-5-yl]methyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
• PubChem CID: 15541030
• Molecular Formula: C28H30FN5O4
• Molecular Weight: 519.58 g/mol
• Exact Mass: 519.23
• IUPAC Name: N-[[(5S)-3-[3-fluoro-4-[4-[[3-[(E)-2-phenylethenyl]-1,2-oxazol-5-yl]methyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
• SMILES: CC(=O)NC[C@H]1CN(c2ccc(N3CCN(Cc4cc(/C=C/c5ccccc5)no4)CC3)c(F)c2)C(=O)O1
• InChI: InChI=1S/C28H30FN5O4/c1-20(35)30-17-25-19-34(28(36)37-25)23-9-10-27(26(29)16-23)33-13-11-32(12-14-33)18-24-15-22(31-38-24)8-7-21-5-3-2-4-6-21/h2-10,15-16,25H,11-14,17-19H2,1H3,(H,30,35)/b8-7+/t25-/m0/s1
• InChIKey: BTAAFQVESJYBDU-NJFIGMEYSA-N
• XLogP: 3.77
• TPSA: 91.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	519.58
LogP ≤ 5	3.77
H-Bond Donors ≤ 5	1
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-[[3-[(E)-2-phenylethenyl]-1,2-oxazol-5-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-[[3-[(E)-2-phenylethenyl]-1,2-oxazol-5-yl]methyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 15541030) is N-[[(5S)-3-[3-fluoro-4-[4-[[3-[(E)-2-phenylethenyl]-1,2-oxazol-5-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-[[3-[(E)-2-phenylethenyl]-1,2-oxazol-5-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-[[3-[(E)-2-phenylethenyl]-1,2-oxazol-5-yl]methyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NC[C@H]1CN(c2ccc(N3CCN(Cc4cc(/C=C/c5ccccc5)no4)CC3)c(F)c2)C(=O)O1.

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

The InChIKey is BTAAFQVESJYBDU-NJFIGMEYSA-N. The full InChI is InChI=1S/C28H30FN5O4/c1-20(35)30-17-25-19-34(28(36)37-25)23-9-10-27(26(29)16-23)33-13-11-32(12-14-33)18-24-15-22(31-38-24)8-7-21-5-3-2-4-6-21/h2-10,15-16,25H,11-14,17-19H2,1H3,(H,30,35)/b8-7+/t25-/m0/s1.

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

N-[[(5S)-3-[3-fluoro-4-[4-[[3-[(E)-2-phenylethenyl]-1,2-oxazol-5-yl]methyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 519.58 g/mol, XLogP of 3.77, 8 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-[4-[[3-[(E)-2-phenylethenyl]-1,2-oxazol-5-yl]methyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 15541030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).