(5R)-5-(azidomethyl)-3-[3-fluoro-4-(2-oxo-3-phenylimidazolidin-1-yl)phenyl]-1,3-oxazolidin-2-one

C19H17FN6O3 — CID 58619742

About (5R)-5-(azidomethyl)-3-[3-fluoro-4-(2-oxo-3-phenylimidazolidin-1-yl)phenyl]-1,3-oxazolidin-2-one

(5R)-5-(azidomethyl)-3-[3-fluoro-4-(2-oxo-3-phenylimidazolidin-1-yl)phenyl]-1,3-oxazolidin-2-one (PubChem CID 58619742) has the molecular formula C19H17FN6O3 and a molecular weight of 396.38 g/mol. Its IUPAC name is (5R)-5-(azidomethyl)-3-[3-fluoro-4-(2-oxo-3-phenylimidazolidin-1-yl)phenyl]-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: (5R)-5-(azidomethyl)-3-[3-fluoro-4-(2-oxo-3-phenylimidazolidin-1-yl)phenyl]-1,3-oxazolidin-2-one
• PubChem CID: 58619742
• Molecular Formula: C19H17FN6O3
• Molecular Weight: 396.38 g/mol
• Exact Mass: 396.13
• IUPAC Name: (5R)-5-(azidomethyl)-3-[3-fluoro-4-(2-oxo-3-phenylimidazolidin-1-yl)phenyl]-1,3-oxazolidin-2-one
• SMILES: [N-]=[N+]=NC[C@H]1CN(c2ccc(N3CCN(c4ccccc4)C3=O)c(F)c2)C(=O)O1
• InChI: InChI=1S/C19H17FN6O3/c20-16-10-14(26-12-15(11-22-23-21)29-19(26)28)6-7-17(16)25-9-8-24(18(25)27)13-4-2-1-3-5-13/h1-7,10,15H,8-9,11-12H2/t15-/m0/s1
• InChIKey: QALSJZZTUUVZIF-HNNXBMFYSA-N
• XLogP: 3.91
• TPSA: 101.85 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	396.38
LogP ≤ 5	3.91
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (5R)-5-(azidomethyl)-3-[3-fluoro-4-(2-oxo-3-phenylimidazolidin-1-yl)phenyl]-1,3-oxazolidin-2-one?

The IUPAC name of (5R)-5-(azidomethyl)-3-[3-fluoro-4-(2-oxo-3-phenylimidazolidin-1-yl)phenyl]-1,3-oxazolidin-2-one (CID 58619742) is (5R)-5-(azidomethyl)-3-[3-fluoro-4-(2-oxo-3-phenylimidazolidin-1-yl)phenyl]-1,3-oxazolidin-2-one.

What is the SMILES notation for (5R)-5-(azidomethyl)-3-[3-fluoro-4-(2-oxo-3-phenylimidazolidin-1-yl)phenyl]-1,3-oxazolidin-2-one?

The canonical SMILES for (5R)-5-(azidomethyl)-3-[3-fluoro-4-(2-oxo-3-phenylimidazolidin-1-yl)phenyl]-1,3-oxazolidin-2-one is [N-]=[N+]=NC[C@H]1CN(c2ccc(N3CCN(c4ccccc4)C3=O)c(F)c2)C(=O)O1.

What is the InChIKey of (5R)-5-(azidomethyl)-3-[3-fluoro-4-(2-oxo-3-phenylimidazolidin-1-yl)phenyl]-1,3-oxazolidin-2-one?

The InChIKey is QALSJZZTUUVZIF-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H17FN6O3/c20-16-10-14(26-12-15(11-22-23-21)29-19(26)28)6-7-17(16)25-9-8-24(18(25)27)13-4-2-1-3-5-13/h1-7,10,15H,8-9,11-12H2/t15-/m0/s1.

What are the key properties of (5R)-5-(azidomethyl)-3-[3-fluoro-4-(2-oxo-3-phenylimidazolidin-1-yl)phenyl]-1,3-oxazolidin-2-one?

(5R)-5-(azidomethyl)-3-[3-fluoro-4-(2-oxo-3-phenylimidazolidin-1-yl)phenyl]-1,3-oxazolidin-2-one has a molecular weight of 396.38 g/mol, XLogP of 3.91, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-5-(azidomethyl)-3-[3-fluoro-4-(2-oxo-3-phenylimidazolidin-1-yl)phenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 58619742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).