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

C26H27F2N5O4 — CID 15541033

About N-[[(5S)-3-[3-fluoro-4-[4-[[3-(4-fluorophenyl)-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-fluorophenyl)-1,2-oxazol-5-yl]methyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 15541033) has the molecular formula C26H27F2N5O4 and a molecular weight of 511.53 g/mol. Its IUPAC name is N-[[(5S)-3-[3-fluoro-4-[4-[[3-(4-fluorophenyl)-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-fluorophenyl)-1,2-oxazol-5-yl]methyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
• PubChem CID: 15541033
• Molecular Formula: C26H27F2N5O4
• Molecular Weight: 511.53 g/mol
• Exact Mass: 511.20
• IUPAC Name: N-[[(5S)-3-[3-fluoro-4-[4-[[3-(4-fluorophenyl)-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(F)cc5)no4)CC3)c(F)c2)C(=O)O1
• InChI: InChI=1S/C26H27F2N5O4/c1-17(34)29-14-22-16-33(26(35)36-22)20-6-7-25(23(28)12-20)32-10-8-31(9-11-32)15-21-13-24(30-37-21)18-2-4-19(27)5-3-18/h2-7,12-13,22H,8-11,14-16H2,1H3,(H,29,34)/t22-/m0/s1
• InChIKey: KYLFHZFJVNTNBR-QFIPXVFZSA-N
• XLogP: 3.40
• TPSA: 91.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	511.53
LogP ≤ 5	3.40
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-(4-fluorophenyl)-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-fluorophenyl)-1,2-oxazol-5-yl]methyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 15541033) is N-[[(5S)-3-[3-fluoro-4-[4-[[3-(4-fluorophenyl)-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-fluorophenyl)-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-fluorophenyl)-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(F)cc5)no4)CC3)c(F)c2)C(=O)O1.

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

The InChIKey is KYLFHZFJVNTNBR-QFIPXVFZSA-N. The full InChI is InChI=1S/C26H27F2N5O4/c1-17(34)29-14-22-16-33(26(35)36-22)20-6-7-25(23(28)12-20)32-10-8-31(9-11-32)15-21-13-24(30-37-21)18-2-4-19(27)5-3-18/h2-7,12-13,22H,8-11,14-16H2,1H3,(H,29,34)/t22-/m0/s1.

What are the key properties of N-[[(5S)-3-[3-fluoro-4-[4-[[3-(4-fluorophenyl)-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-fluorophenyl)-1,2-oxazol-5-yl]methyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 511.53 g/mol, XLogP of 3.40, 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-[4-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 15541033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).