N-[[(5S)-3-[4-[4-[[(2E)-2-[(Z)-2-aminoethenyl]penta-2,4-dienyl]carbamoylamino]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

C26H28FN5O4 — CID 88876050

About N-[[(5S)-3-[4-[4-[[(2E)-2-[(Z)-2-aminoethenyl]penta-2,4-dienyl]carbamoylamino]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

N-[[(5S)-3-[4-[4-[[(2E)-2-[(Z)-2-aminoethenyl]penta-2,4-dienyl]carbamoylamino]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 88876050) has the molecular formula C26H28FN5O4 and a molecular weight of 493.54 g/mol. Its IUPAC name is N-[[(5S)-3-[4-[4-[[(2E)-2-[(Z)-2-aminoethenyl]penta-2,4-dienyl]carbamoylamino]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

• Compound Name: N-[[(5S)-3-[4-[4-[[(2E)-2-[(Z)-2-aminoethenyl]penta-2,4-dienyl]carbamoylamino]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
• PubChem CID: 88876050
• Molecular Formula: C26H28FN5O4
• Molecular Weight: 493.54 g/mol
• Exact Mass: 493.21
• IUPAC Name: N-[[(5S)-3-[4-[4-[[(2E)-2-[(Z)-2-aminoethenyl]penta-2,4-dienyl]carbamoylamino]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
• SMILES: C=C/C=C(\C=C/N)CNC(=O)Nc1ccc(-c2ccc(N3C[C@H](CNC(C)=O)OC3=O)cc2F)cc1
• InChI: InChI=1S/C26H28FN5O4/c1-3-4-18(11-12-28)14-30-25(34)31-20-7-5-19(6-8-20)23-10-9-21(13-24(23)27)32-16-22(36-26(32)35)15-29-17(2)33/h3-13,22H,1,14-16,28H2,2H3,(H,29,33)(H2,30,31,34)/b12-11-,18-4+/t22-/m0/s1
• InChIKey: SFKCMJJKWCLMMB-YBENIFFVSA-N
• XLogP: 3.66
• TPSA: 125.79 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	493.54
LogP ≤ 5	3.66
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-[4-[4-[[(2E)-2-[(Z)-2-aminoethenyl]penta-2,4-dienyl]carbamoylamino]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?

The IUPAC name of N-[[(5S)-3-[4-[4-[[(2E)-2-[(Z)-2-aminoethenyl]penta-2,4-dienyl]carbamoylamino]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 88876050) is N-[[(5S)-3-[4-[4-[[(2E)-2-[(Z)-2-aminoethenyl]penta-2,4-dienyl]carbamoylamino]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

What is the SMILES notation for N-[[(5S)-3-[4-[4-[[(2E)-2-[(Z)-2-aminoethenyl]penta-2,4-dienyl]carbamoylamino]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?

The canonical SMILES for N-[[(5S)-3-[4-[4-[[(2E)-2-[(Z)-2-aminoethenyl]penta-2,4-dienyl]carbamoylamino]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is C=C/C=C(\C=C/N)CNC(=O)Nc1ccc(-c2ccc(N3C[C@H](CNC(C)=O)OC3=O)cc2F)cc1.

What is the InChIKey of N-[[(5S)-3-[4-[4-[[(2E)-2-[(Z)-2-aminoethenyl]penta-2,4-dienyl]carbamoylamino]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?

The InChIKey is SFKCMJJKWCLMMB-YBENIFFVSA-N. The full InChI is InChI=1S/C26H28FN5O4/c1-3-4-18(11-12-28)14-30-25(34)31-20-7-5-19(6-8-20)23-10-9-21(13-24(23)27)32-16-22(36-26(32)35)15-29-17(2)33/h3-13,22H,1,14-16,28H2,2H3,(H,29,33)(H2,30,31,34)/b12-11-,18-4+/t22-/m0/s1.

What are the key properties of N-[[(5S)-3-[4-[4-[[(2E)-2-[(Z)-2-aminoethenyl]penta-2,4-dienyl]carbamoylamino]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?

N-[[(5S)-3-[4-[4-[[(2E)-2-[(Z)-2-aminoethenyl]penta-2,4-dienyl]carbamoylamino]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 493.54 g/mol, XLogP of 3.66, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[(5S)-3-[4-[4-[[(2E)-2-[(Z)-2-aminoethenyl]penta-2,4-dienyl]carbamoylamino]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 88876050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).