4-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-N-[1-amino-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]benzamide

C25H25FN6O5 — CID 23404153

About 4-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-N-[1-amino-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]benzamide

4-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-N-[1-amino-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]benzamide (PubChem CID 23404153) has the molecular formula C25H25FN6O5 and a molecular weight of 508.51 g/mol. Its IUPAC name is 4-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-N-[1-amino-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]benzamide.

Molecular Properties

• Compound Name: 4-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-N-[1-amino-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]benzamide
• PubChem CID: 23404153
• Molecular Formula: C25H25FN6O5
• Molecular Weight: 508.51 g/mol
• Exact Mass: 508.19
• IUPAC Name: 4-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-N-[1-amino-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]benzamide
• SMILES: CC(=O)NCC1CN(c2ccc(-c3ccc(C(=O)NC(Cc4cnc[nH]4)C(N)=O)cc3)c(F)c2)C(=O)O1
• InChI: InChI=1S/C25H25FN6O5/c1-14(33)29-11-19-12-32(25(36)37-19)18-6-7-20(21(26)9-18)15-2-4-16(5-3-15)24(35)31-22(23(27)34)8-17-10-28-13-30-17/h2-7,9-10,13,19,22H,8,11-12H2,1H3,(H2,27,34)(H,28,30)(H,29,33)(H,31,35)
• InChIKey: BFSQETKTQYFBKP-UHFFFAOYSA-N
• XLogP: 1.50
• TPSA: 159.51 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	508.51
LogP ≤ 5	1.50
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-N-[1-amino-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]benzamide?

The IUPAC name of 4-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-N-[1-amino-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]benzamide (CID 23404153) is 4-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-N-[1-amino-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]benzamide.

What is the SMILES notation for 4-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-N-[1-amino-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]benzamide?

The canonical SMILES for 4-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-N-[1-amino-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]benzamide is CC(=O)NCC1CN(c2ccc(-c3ccc(C(=O)NC(Cc4cnc[nH]4)C(N)=O)cc3)c(F)c2)C(=O)O1.

What is the InChIKey of 4-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-N-[1-amino-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]benzamide?

The InChIKey is BFSQETKTQYFBKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN6O5/c1-14(33)29-11-19-12-32(25(36)37-19)18-6-7-20(21(26)9-18)15-2-4-16(5-3-15)24(35)31-22(23(27)34)8-17-10-28-13-30-17/h2-7,9-10,13,19,22H,8,11-12H2,1H3,(H2,27,34)(H,28,30)(H,29,33)(H,31,35).

What are the key properties of 4-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-N-[1-amino-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]benzamide?

4-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-N-[1-amino-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]benzamide has a molecular weight of 508.51 g/mol, XLogP of 1.50, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-N-[1-amino-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]benzamide is sourced from PubChem (CID 23404153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).