1-ethyltriazole;N-[[3-[(3E,5Z,8Z,10E)-5-fluoro-6,7-dimethyl-10-(methylaminomethyl)trideca-1,3,5,8,10,12-hexaen-3-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

C27H39FN6O3 — CID 143006920

About 1-ethyltriazole;N-[[3-[(3E,5Z,8Z,10E)-5-fluoro-6,7-dimethyl-10-(methylaminomethyl)trideca-1,3,5,8,10,12-hexaen-3-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

1-ethyltriazole;N-[[3-[(3E,5Z,8Z,10E)-5-fluoro-6,7-dimethyl-10-(methylaminomethyl)trideca-1,3,5,8,10,12-hexaen-3-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 143006920) has the molecular formula C27H39FN6O3 and a molecular weight of 514.65 g/mol. Its IUPAC name is 1-ethyltriazole;N-[[3-[(3E,5Z,8Z,10E)-5-fluoro-6,7-dimethyl-10-(methylaminomethyl)trideca-1,3,5,8,10,12-hexaen-3-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

• Compound Name: 1-ethyltriazole;N-[[3-[(3E,5Z,8Z,10E)-5-fluoro-6,7-dimethyl-10-(methylaminomethyl)trideca-1,3,5,8,10,12-hexaen-3-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
• PubChem CID: 143006920
• Molecular Formula: C27H39FN6O3
• Molecular Weight: 514.65 g/mol
• Exact Mass: 514.31
• IUPAC Name: 1-ethyltriazole;N-[[3-[(3E,5Z,8Z,10E)-5-fluoro-6,7-dimethyl-10-(methylaminomethyl)trideca-1,3,5,8,10,12-hexaen-3-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
• SMILES: C=C/C=C(\C=C/C(C)/C(C)=C(F)/C=C(\C=C)N1CC(CNC(C)=O)OC1=O)CNC.CCn1ccnn1
• InChI: InChI=1S/C23H32FN3O3.C4H7N3/c1-7-9-19(13-25-6)11-10-16(3)17(4)22(24)12-20(8-2)27-15-21(30-23(27)29)14-26-18(5)28;1-2-7-4-3-5-6-7/h7-12,16,21,25H,1-2,13-15H2,3-6H3,(H,26,28);3-4H,2H2,1H3/b11-10-,19-9+,20-12+,22-17-
• InChIKey: GUZSAWZLQWIYKD-UTZGTCOTSA-N
• XLogP: 4.08
• TPSA: 101.38 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 12
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	514.65
LogP ≤ 5	4.08
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-ethyltriazole;N-[[3-[(3E,5Z,8Z,10E)-5-fluoro-6,7-dimethyl-10-(methylaminomethyl)trideca-1,3,5,8,10,12-hexaen-3-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?

The IUPAC name of 1-ethyltriazole;N-[[3-[(3E,5Z,8Z,10E)-5-fluoro-6,7-dimethyl-10-(methylaminomethyl)trideca-1,3,5,8,10,12-hexaen-3-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 143006920) is 1-ethyltriazole;N-[[3-[(3E,5Z,8Z,10E)-5-fluoro-6,7-dimethyl-10-(methylaminomethyl)trideca-1,3,5,8,10,12-hexaen-3-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

What is the SMILES notation for 1-ethyltriazole;N-[[3-[(3E,5Z,8Z,10E)-5-fluoro-6,7-dimethyl-10-(methylaminomethyl)trideca-1,3,5,8,10,12-hexaen-3-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?

The canonical SMILES for 1-ethyltriazole;N-[[3-[(3E,5Z,8Z,10E)-5-fluoro-6,7-dimethyl-10-(methylaminomethyl)trideca-1,3,5,8,10,12-hexaen-3-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is C=C/C=C(\C=C/C(C)/C(C)=C(F)/C=C(\C=C)N1CC(CNC(C)=O)OC1=O)CNC.CCn1ccnn1.

What is the InChIKey of 1-ethyltriazole;N-[[3-[(3E,5Z,8Z,10E)-5-fluoro-6,7-dimethyl-10-(methylaminomethyl)trideca-1,3,5,8,10,12-hexaen-3-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?

The InChIKey is GUZSAWZLQWIYKD-UTZGTCOTSA-N. The full InChI is InChI=1S/C23H32FN3O3.C4H7N3/c1-7-9-19(13-25-6)11-10-16(3)17(4)22(24)12-20(8-2)27-15-21(30-23(27)29)14-26-18(5)28;1-2-7-4-3-5-6-7/h7-12,16,21,25H,1-2,13-15H2,3-6H3,(H,26,28);3-4H,2H2,1H3/b11-10-,19-9+,20-12+,22-17-;.

What are the key properties of 1-ethyltriazole;N-[[3-[(3E,5Z,8Z,10E)-5-fluoro-6,7-dimethyl-10-(methylaminomethyl)trideca-1,3,5,8,10,12-hexaen-3-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?

1-ethyltriazole;N-[[3-[(3E,5Z,8Z,10E)-5-fluoro-6,7-dimethyl-10-(methylaminomethyl)trideca-1,3,5,8,10,12-hexaen-3-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 514.65 g/mol, XLogP of 4.08, 12 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-ethyltriazole;N-[[3-[(3E,5Z,8Z,10E)-5-fluoro-6,7-dimethyl-10-(methylaminomethyl)trideca-1,3,5,8,10,12-hexaen-3-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 143006920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).