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

C29H31FN6O5 — CID 10187923

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

N-[[(5S)-3-[3-fluoro-4-[2-[4-(2-phenylmethoxyacetyl)piperazin-1-yl]pyrimidin-5-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 10187923) has the molecular formula C29H31FN6O5 and a molecular weight of 562.60 g/mol. Its IUPAC name is N-[[(5S)-3-[3-fluoro-4-[2-[4-(2-phenylmethoxyacetyl)piperazin-1-yl]pyrimidin-5-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

• Compound Name: N-[[(5S)-3-[3-fluoro-4-[2-[4-(2-phenylmethoxyacetyl)piperazin-1-yl]pyrimidin-5-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
• PubChem CID: 10187923
• Molecular Formula: C29H31FN6O5
• Molecular Weight: 562.60 g/mol
• Exact Mass: 562.23
• IUPAC Name: N-[[(5S)-3-[3-fluoro-4-[2-[4-(2-phenylmethoxyacetyl)piperazin-1-yl]pyrimidin-5-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
• SMILES: CC(=O)NC[C@H]1CN(c2ccc(-c3cnc(N4CCN(C(=O)COCc5ccccc5)CC4)nc3)c(F)c2)C(=O)O1
• InChI: InChI=1S/C29H31FN6O5/c1-20(37)31-16-24-17-36(29(39)41-24)23-7-8-25(26(30)13-23)22-14-32-28(33-15-22)35-11-9-34(10-12-35)27(38)19-40-18-21-5-3-2-4-6-21/h2-8,13-15,24H,9-12,16-19H2,1H3,(H,31,37)/t24-/m0/s1
• InChIKey: HNROFMYLBDLNFU-DEOSSOPVSA-N
• XLogP: 2.61
• TPSA: 117.20 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	562.60
LogP ≤ 5	2.61
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-[3-fluoro-4-[2-[4-(2-phenylmethoxyacetyl)piperazin-1-yl]pyrimidin-5-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?

The IUPAC name of N-[[(5S)-3-[3-fluoro-4-[2-[4-(2-phenylmethoxyacetyl)piperazin-1-yl]pyrimidin-5-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 10187923) is N-[[(5S)-3-[3-fluoro-4-[2-[4-(2-phenylmethoxyacetyl)piperazin-1-yl]pyrimidin-5-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

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

The canonical SMILES for N-[[(5S)-3-[3-fluoro-4-[2-[4-(2-phenylmethoxyacetyl)piperazin-1-yl]pyrimidin-5-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NC[C@H]1CN(c2ccc(-c3cnc(N4CCN(C(=O)COCc5ccccc5)CC4)nc3)c(F)c2)C(=O)O1.

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

The InChIKey is HNROFMYLBDLNFU-DEOSSOPVSA-N. The full InChI is InChI=1S/C29H31FN6O5/c1-20(37)31-16-24-17-36(29(39)41-24)23-7-8-25(26(30)13-23)22-14-32-28(33-15-22)35-11-9-34(10-12-35)27(38)19-40-18-21-5-3-2-4-6-21/h2-8,13-15,24H,9-12,16-19H2,1H3,(H,31,37)/t24-/m0/s1.

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

N-[[(5S)-3-[3-fluoro-4-[2-[4-(2-phenylmethoxyacetyl)piperazin-1-yl]pyrimidin-5-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 562.60 g/mol, XLogP of 2.61, 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-[2-[4-(2-phenylmethoxyacetyl)piperazin-1-yl]pyrimidin-5-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 10187923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).