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

C32H32FN5O5 — CID 15541036

About N-[[(5S)-3-[3-fluoro-4-[4-[[3-(4-phenoxyphenyl)-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-(4-phenoxyphenyl)-1,2-oxazol-5-yl]methyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 15541036) has the molecular formula C32H32FN5O5 and a molecular weight of 585.64 g/mol. Its IUPAC name is N-[[(5S)-3-[3-fluoro-4-[4-[[3-(4-phenoxyphenyl)-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-(4-phenoxyphenyl)-1,2-oxazol-5-yl]methyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
• PubChem CID: 15541036
• Molecular Formula: C32H32FN5O5
• Molecular Weight: 585.64 g/mol
• Exact Mass: 585.24
• IUPAC Name: N-[[(5S)-3-[3-fluoro-4-[4-[[3-(4-phenoxyphenyl)-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(-c5ccc(Oc6ccccc6)cc5)no4)CC3)c(F)c2)C(=O)O1
• InChI: InChI=1S/C32H32FN5O5/c1-22(39)34-19-28-21-38(32(40)42-28)24-9-12-31(29(33)17-24)37-15-13-36(14-16-37)20-27-18-30(35-43-27)23-7-10-26(11-8-23)41-25-5-3-2-4-6-25/h2-12,17-18,28H,13-16,19-21H2,1H3,(H,34,39)/t28-/m0/s1
• InChIKey: GHGZILNWNLEHFW-NDEPHWFRSA-N
• XLogP: 5.06
• TPSA: 100.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	585.64
LogP ≤ 5	5.06
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-[3-fluoro-4-[4-[[3-(4-phenoxyphenyl)-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-(4-phenoxyphenyl)-1,2-oxazol-5-yl]methyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 15541036) is N-[[(5S)-3-[3-fluoro-4-[4-[[3-(4-phenoxyphenyl)-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-(4-phenoxyphenyl)-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-(4-phenoxyphenyl)-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(-c5ccc(Oc6ccccc6)cc5)no4)CC3)c(F)c2)C(=O)O1.

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

The InChIKey is GHGZILNWNLEHFW-NDEPHWFRSA-N. The full InChI is InChI=1S/C32H32FN5O5/c1-22(39)34-19-28-21-38(32(40)42-28)24-9-12-31(29(33)17-24)37-15-13-36(14-16-37)20-27-18-30(35-43-27)23-7-10-26(11-8-23)41-25-5-3-2-4-6-25/h2-12,17-18,28H,13-16,19-21H2,1H3,(H,34,39)/t28-/m0/s1.

What are the key properties of N-[[(5S)-3-[3-fluoro-4-[4-[[3-(4-phenoxyphenyl)-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-(4-phenoxyphenyl)-1,2-oxazol-5-yl]methyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 585.64 g/mol, XLogP of 5.06, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[(5S)-3-[3-fluoro-4-[4-[[3-(4-phenoxyphenyl)-1,2-oxazol-5-yl]methyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 15541036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).