N-[[(5S)-3-[4-[(3Z,5E)-5-[3-(aminodiazenyl)propylamino]octa-1,3,5,7-tetraen-2-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;ethane

C25H35FN6O3 — CID 143367750

About N-[[(5S)-3-[4-[(3Z,5E)-5-[3-(aminodiazenyl)propylamino]octa-1,3,5,7-tetraen-2-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;ethane

N-[[(5S)-3-[4-[(3Z,5E)-5-[3-(aminodiazenyl)propylamino]octa-1,3,5,7-tetraen-2-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;ethane (PubChem CID 143367750) has the molecular formula C25H35FN6O3 and a molecular weight of 486.59 g/mol. Its IUPAC name is N-[[(5S)-3-[4-[(3Z,5E)-5-[3-(aminodiazenyl)propylamino]octa-1,3,5,7-tetraen-2-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;ethane.

Molecular Properties

• Compound Name: N-[[(5S)-3-[4-[(3Z,5E)-5-[3-(aminodiazenyl)propylamino]octa-1,3,5,7-tetraen-2-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;ethane
• PubChem CID: 143367750
• Molecular Formula: C25H35FN6O3
• Molecular Weight: 486.59 g/mol
• Exact Mass: 486.28
• IUPAC Name: N-[[(5S)-3-[4-[(3Z,5E)-5-[3-(aminodiazenyl)propylamino]octa-1,3,5,7-tetraen-2-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;ethane
• SMILES: C=C/C=C(\C=C/C(=C)c1ccc(N2C[C@H](CNC(C)=O)OC2=O)cc1F)NCCC/N=N/N.CC
• InChI: InChI=1S/C23H29FN6O3.C2H6/c1-4-6-18(26-11-5-12-28-29-25)8-7-16(2)21-10-9-19(13-22(21)24)30-15-20(33-23(30)32)14-27-17(3)31;1-2/h4,6-10,13,20,26H,1-2,5,11-12,14-15H2,3H3,(H2,25,28)(H,27,31);1-2H3/b8-7-,18-6+;/t20-;/m0./s1
• InChIKey: CGYHUJOANRQPGK-LVSUSCRNSA-N
• XLogP: 4.26
• TPSA: 121.41 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 12
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	486.59
LogP ≤ 5	4.26
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-[4-[(3Z,5E)-5-[3-(aminodiazenyl)propylamino]octa-1,3,5,7-tetraen-2-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;ethane?

The IUPAC name of N-[[(5S)-3-[4-[(3Z,5E)-5-[3-(aminodiazenyl)propylamino]octa-1,3,5,7-tetraen-2-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;ethane (CID 143367750) is N-[[(5S)-3-[4-[(3Z,5E)-5-[3-(aminodiazenyl)propylamino]octa-1,3,5,7-tetraen-2-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;ethane.

What is the SMILES notation for N-[[(5S)-3-[4-[(3Z,5E)-5-[3-(aminodiazenyl)propylamino]octa-1,3,5,7-tetraen-2-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;ethane?

The canonical SMILES for N-[[(5S)-3-[4-[(3Z,5E)-5-[3-(aminodiazenyl)propylamino]octa-1,3,5,7-tetraen-2-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;ethane is C=C/C=C(\C=C/C(=C)c1ccc(N2C[C@H](CNC(C)=O)OC2=O)cc1F)NCCC/N=N/N.CC.

What is the InChIKey of N-[[(5S)-3-[4-[(3Z,5E)-5-[3-(aminodiazenyl)propylamino]octa-1,3,5,7-tetraen-2-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;ethane?

The InChIKey is CGYHUJOANRQPGK-LVSUSCRNSA-N. The full InChI is InChI=1S/C23H29FN6O3.C2H6/c1-4-6-18(26-11-5-12-28-29-25)8-7-16(2)21-10-9-19(13-22(21)24)30-15-20(33-23(30)32)14-27-17(3)31;1-2/h4,6-10,13,20,26H,1-2,5,11-12,14-15H2,3H3,(H2,25,28)(H,27,31);1-2H3/b8-7-,18-6+;/t20-;/m0./s1.

What are the key properties of N-[[(5S)-3-[4-[(3Z,5E)-5-[3-(aminodiazenyl)propylamino]octa-1,3,5,7-tetraen-2-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;ethane?

N-[[(5S)-3-[4-[(3Z,5E)-5-[3-(aminodiazenyl)propylamino]octa-1,3,5,7-tetraen-2-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;ethane has a molecular weight of 486.59 g/mol, XLogP of 4.26, 12 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[(5S)-3-[4-[(3Z,5E)-5-[3-(aminodiazenyl)propylamino]octa-1,3,5,7-tetraen-2-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;ethane is sourced from PubChem (CID 143367750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).