N-[[(5S)-3-[3-fluoro-4-[4-[3-[5-(hydroxymethyl)furan-2-yl]propyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

C26H27FN2O5 — CID 58045621

About N-[[(5S)-3-[3-fluoro-4-[4-[3-[5-(hydroxymethyl)furan-2-yl]propyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

N-[[(5S)-3-[3-fluoro-4-[4-[3-[5-(hydroxymethyl)furan-2-yl]propyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 58045621) has the molecular formula C26H27FN2O5 and a molecular weight of 466.51 g/mol. Its IUPAC name is N-[[(5S)-3-[3-fluoro-4-[4-[3-[5-(hydroxymethyl)furan-2-yl]propyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

• Compound Name: N-[[(5S)-3-[3-fluoro-4-[4-[3-[5-(hydroxymethyl)furan-2-yl]propyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
• PubChem CID: 58045621
• Molecular Formula: C26H27FN2O5
• Molecular Weight: 466.51 g/mol
• Exact Mass: 466.19
• IUPAC Name: N-[[(5S)-3-[3-fluoro-4-[4-[3-[5-(hydroxymethyl)furan-2-yl]propyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
• SMILES: CC(=O)NC[C@H]1CN(c2ccc(-c3ccc(CCCc4ccc(CO)o4)cc3)c(F)c2)C(=O)O1
• InChI: InChI=1S/C26H27FN2O5/c1-17(31)28-14-23-15-29(26(32)34-23)20-9-12-24(25(27)13-20)19-7-5-18(6-8-19)3-2-4-21-10-11-22(16-30)33-21/h5-13,23,30H,2-4,14-16H2,1H3,(H,28,31)/t23-/m0/s1
• InChIKey: WXJPSSXSKGTDLF-QHCPKHFHSA-N
• XLogP: 4.21
• TPSA: 92.01 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	466.51
LogP ≤ 5	4.21
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-[[(5S)-3-[3-fluoro-4-[4-[3-[5-(hydroxymethyl)furan-2-yl]propyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 58045621) is N-[[(5S)-3-[3-fluoro-4-[4-[3-[5-(hydroxymethyl)furan-2-yl]propyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

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

The canonical SMILES for N-[[(5S)-3-[3-fluoro-4-[4-[3-[5-(hydroxymethyl)furan-2-yl]propyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NC[C@H]1CN(c2ccc(-c3ccc(CCCc4ccc(CO)o4)cc3)c(F)c2)C(=O)O1.

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

The InChIKey is WXJPSSXSKGTDLF-QHCPKHFHSA-N. The full InChI is InChI=1S/C26H27FN2O5/c1-17(31)28-14-23-15-29(26(32)34-23)20-9-12-24(25(27)13-20)19-7-5-18(6-8-19)3-2-4-21-10-11-22(16-30)33-21/h5-13,23,30H,2-4,14-16H2,1H3,(H,28,31)/t23-/m0/s1.

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

N-[[(5S)-3-[3-fluoro-4-[4-[3-[5-(hydroxymethyl)furan-2-yl]propyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 466.51 g/mol, XLogP of 4.21, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[(5S)-3-[3-fluoro-4-[4-[3-[5-(hydroxymethyl)furan-2-yl]propyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 58045621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).