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

C25H31FN4O4 — CID 23403888

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

N-[[(5S)-3-[3-fluoro-4-[4-[(2-morpholin-4-ylethylamino)methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 23403888) has the molecular formula C25H31FN4O4 and a molecular weight of 470.55 g/mol. Its IUPAC name is N-[[(5S)-3-[3-fluoro-4-[4-[(2-morpholin-4-ylethylamino)methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

• Compound Name: N-[[(5S)-3-[3-fluoro-4-[4-[(2-morpholin-4-ylethylamino)methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
• PubChem CID: 23403888
• Molecular Formula: C25H31FN4O4
• Molecular Weight: 470.55 g/mol
• Exact Mass: 470.23
• IUPAC Name: N-[[(5S)-3-[3-fluoro-4-[4-[(2-morpholin-4-ylethylamino)methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
• SMILES: CC(=O)NC[C@H]1CN(c2ccc(-c3ccc(CNCCN4CCOCC4)cc3)c(F)c2)C(=O)O1
• InChI: InChI=1S/C25H31FN4O4/c1-18(31)28-16-22-17-30(25(32)34-22)21-6-7-23(24(26)14-21)20-4-2-19(3-5-20)15-27-8-9-29-10-12-33-13-11-29/h2-7,14,22,27H,8-13,15-17H2,1H3,(H,28,31)/t22-/m0/s1
• InChIKey: IDWFPZKLYYZQCJ-QFIPXVFZSA-N
• XLogP: 2.38
• TPSA: 83.14 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	470.55
LogP ≤ 5	2.38
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of N-[[(5S)-3-[3-fluoro-4-[4-[(2-morpholin-4-ylethylamino)methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 23403888) is N-[[(5S)-3-[3-fluoro-4-[4-[(2-morpholin-4-ylethylamino)methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

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

The canonical SMILES for N-[[(5S)-3-[3-fluoro-4-[4-[(2-morpholin-4-ylethylamino)methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NC[C@H]1CN(c2ccc(-c3ccc(CNCCN4CCOCC4)cc3)c(F)c2)C(=O)O1.

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

The InChIKey is IDWFPZKLYYZQCJ-QFIPXVFZSA-N. The full InChI is InChI=1S/C25H31FN4O4/c1-18(31)28-16-22-17-30(25(32)34-22)21-6-7-23(24(26)14-21)20-4-2-19(3-5-20)15-27-8-9-29-10-12-33-13-11-29/h2-7,14,22,27H,8-13,15-17H2,1H3,(H,28,31)/t22-/m0/s1.

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

N-[[(5S)-3-[3-fluoro-4-[4-[(2-morpholin-4-ylethylamino)methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 470.55 g/mol, XLogP of 2.38, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[(5S)-3-[3-fluoro-4-[4-[(2-morpholin-4-ylethylamino)methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 23403888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).