1-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-N-(5-bromo-2-pyridinyl)imidazole-4-carboxamide

C21H18BrFN6O4 — CID 59924346

About 1-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-N-(5-bromo-2-pyridinyl)imidazole-4-carboxamide

1-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-N-(5-bromo-2-pyridinyl)imidazole-4-carboxamide (PubChem CID 59924346) has the molecular formula C21H18BrFN6O4 and a molecular weight of 517.32 g/mol. Its IUPAC name is 1-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-N-(5-bromo-2-pyridinyl)imidazole-4-carboxamide.

Molecular Properties

• Compound Name: 1-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-N-(5-bromo-2-pyridinyl)imidazole-4-carboxamide
• PubChem CID: 59924346
• Molecular Formula: C21H18BrFN6O4
• Molecular Weight: 517.32 g/mol
• Exact Mass: 516.06
• IUPAC Name: 1-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-N-(5-bromo-2-pyridinyl)imidazole-4-carboxamide
• SMILES: CC(=O)NC[C@H]1CN(c2ccc(-n3cnc(C(=O)Nc4ccc(Br)cn4)c3)c(F)c2)C(=O)O1
• InChI: InChI=1S/C21H18BrFN6O4/c1-12(30)24-8-15-9-29(21(32)33-15)14-3-4-18(16(23)6-14)28-10-17(26-11-28)20(31)27-19-5-2-13(22)7-25-19/h2-7,10-11,15H,8-9H2,1H3,(H,24,30)(H,25,27,31)/t15-/m0/s1
• InChIKey: PSLXUEDLCCHZNY-HNNXBMFYSA-N
• XLogP: 2.88
• TPSA: 118.45 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	517.32
LogP ≤ 5	2.88
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-N-(5-bromo-2-pyridinyl)imidazole-4-carboxamide?

The IUPAC name of 1-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-N-(5-bromo-2-pyridinyl)imidazole-4-carboxamide (CID 59924346) is 1-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-N-(5-bromo-2-pyridinyl)imidazole-4-carboxamide.

What is the SMILES notation for 1-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-N-(5-bromo-2-pyridinyl)imidazole-4-carboxamide?

The canonical SMILES for 1-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-N-(5-bromo-2-pyridinyl)imidazole-4-carboxamide is CC(=O)NC[C@H]1CN(c2ccc(-n3cnc(C(=O)Nc4ccc(Br)cn4)c3)c(F)c2)C(=O)O1.

What is the InChIKey of 1-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-N-(5-bromo-2-pyridinyl)imidazole-4-carboxamide?

The InChIKey is PSLXUEDLCCHZNY-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H18BrFN6O4/c1-12(30)24-8-15-9-29(21(32)33-15)14-3-4-18(16(23)6-14)28-10-17(26-11-28)20(31)27-19-5-2-13(22)7-25-19/h2-7,10-11,15H,8-9H2,1H3,(H,24,30)(H,25,27,31)/t15-/m0/s1.

What are the key properties of 1-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-N-(5-bromo-2-pyridinyl)imidazole-4-carboxamide?

1-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-N-(5-bromo-2-pyridinyl)imidazole-4-carboxamide has a molecular weight of 517.32 g/mol, XLogP of 2.88, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-N-(5-bromo-2-pyridinyl)imidazole-4-carboxamide is sourced from PubChem (CID 59924346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).