(5R)-5-(azidomethyl)-3-[4-[4-(chloromethyl)imidazol-1-yl]-3-fluorophenyl]-1,3-oxazolidin-2-one

C14H12ClFN6O2 — CID 59591365

About (5R)-5-(azidomethyl)-3-[4-[4-(chloromethyl)imidazol-1-yl]-3-fluorophenyl]-1,3-oxazolidin-2-one

(5R)-5-(azidomethyl)-3-[4-[4-(chloromethyl)imidazol-1-yl]-3-fluorophenyl]-1,3-oxazolidin-2-one (PubChem CID 59591365) has the molecular formula C14H12ClFN6O2 and a molecular weight of 350.74 g/mol. Its IUPAC name is (5R)-5-(azidomethyl)-3-[4-[4-(chloromethyl)imidazol-1-yl]-3-fluorophenyl]-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: (5R)-5-(azidomethyl)-3-[4-[4-(chloromethyl)imidazol-1-yl]-3-fluorophenyl]-1,3-oxazolidin-2-one
• PubChem CID: 59591365
• Molecular Formula: C14H12ClFN6O2
• Molecular Weight: 350.74 g/mol
• Exact Mass: 350.07
• IUPAC Name: (5R)-5-(azidomethyl)-3-[4-[4-(chloromethyl)imidazol-1-yl]-3-fluorophenyl]-1,3-oxazolidin-2-one
• SMILES: [N-]=[N+]=NC[C@H]1CN(c2ccc(-n3cnc(CCl)c3)c(F)c2)C(=O)O1
• InChI: InChI=1S/C14H12ClFN6O2/c15-4-9-6-21(8-18-9)13-2-1-10(3-12(13)16)22-7-11(5-19-20-17)24-14(22)23/h1-3,6,8,11H,4-5,7H2/t11-/m0/s1
• InChIKey: OJCXHAUSCIBYRA-NSHDSACASA-N
• XLogP: 3.39
• TPSA: 96.12 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	350.74
LogP ≤ 5	3.39
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', '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-[4-[4-(chloromethyl)imidazol-1-yl]-3-fluorophenyl]-1,3-oxazolidin-2-one?

The IUPAC name of (5R)-5-(azidomethyl)-3-[4-[4-(chloromethyl)imidazol-1-yl]-3-fluorophenyl]-1,3-oxazolidin-2-one (CID 59591365) is (5R)-5-(azidomethyl)-3-[4-[4-(chloromethyl)imidazol-1-yl]-3-fluorophenyl]-1,3-oxazolidin-2-one.

What is the SMILES notation for (5R)-5-(azidomethyl)-3-[4-[4-(chloromethyl)imidazol-1-yl]-3-fluorophenyl]-1,3-oxazolidin-2-one?

The canonical SMILES for (5R)-5-(azidomethyl)-3-[4-[4-(chloromethyl)imidazol-1-yl]-3-fluorophenyl]-1,3-oxazolidin-2-one is [N-]=[N+]=NC[C@H]1CN(c2ccc(-n3cnc(CCl)c3)c(F)c2)C(=O)O1.

What is the InChIKey of (5R)-5-(azidomethyl)-3-[4-[4-(chloromethyl)imidazol-1-yl]-3-fluorophenyl]-1,3-oxazolidin-2-one?

The InChIKey is OJCXHAUSCIBYRA-NSHDSACASA-N. The full InChI is InChI=1S/C14H12ClFN6O2/c15-4-9-6-21(8-18-9)13-2-1-10(3-12(13)16)22-7-11(5-19-20-17)24-14(22)23/h1-3,6,8,11H,4-5,7H2/t11-/m0/s1.

What are the key properties of (5R)-5-(azidomethyl)-3-[4-[4-(chloromethyl)imidazol-1-yl]-3-fluorophenyl]-1,3-oxazolidin-2-one?

(5R)-5-(azidomethyl)-3-[4-[4-(chloromethyl)imidazol-1-yl]-3-fluorophenyl]-1,3-oxazolidin-2-one has a molecular weight of 350.74 g/mol, XLogP of 3.39, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-5-(azidomethyl)-3-[4-[4-(chloromethyl)imidazol-1-yl]-3-fluorophenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 59591365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).