5-(azidomethyl)-3-[3-fluoro-4-[4-(imidazol-1-ylmethyl)imidazol-1-yl]phenyl]-1,3-oxazolidin-2-one

C17H15FN8O2 — CID 86648044

About 5-(azidomethyl)-3-[3-fluoro-4-[4-(imidazol-1-ylmethyl)imidazol-1-yl]phenyl]-1,3-oxazolidin-2-one

5-(azidomethyl)-3-[3-fluoro-4-[4-(imidazol-1-ylmethyl)imidazol-1-yl]phenyl]-1,3-oxazolidin-2-one (PubChem CID 86648044) has the molecular formula C17H15FN8O2 and a molecular weight of 382.36 g/mol. Its IUPAC name is 5-(azidomethyl)-3-[3-fluoro-4-[4-(imidazol-1-ylmethyl)imidazol-1-yl]phenyl]-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: 5-(azidomethyl)-3-[3-fluoro-4-[4-(imidazol-1-ylmethyl)imidazol-1-yl]phenyl]-1,3-oxazolidin-2-one
• PubChem CID: 86648044
• Molecular Formula: C17H15FN8O2
• Molecular Weight: 382.36 g/mol
• Exact Mass: 382.13
• IUPAC Name: 5-(azidomethyl)-3-[3-fluoro-4-[4-(imidazol-1-ylmethyl)imidazol-1-yl]phenyl]-1,3-oxazolidin-2-one
• SMILES: [N-]=[N+]=NCC1CN(c2ccc(-n3cnc(Cn4ccnc4)c3)c(F)c2)C(=O)O1
• InChI: InChI=1S/C17H15FN8O2/c18-15-5-13(26-9-14(6-22-23-19)28-17(26)27)1-2-16(15)25-8-12(21-11-25)7-24-4-3-20-10-24/h1-5,8,10-11,14H,6-7,9H2
• InChIKey: ROLPULYXFDDUSL-UHFFFAOYSA-N
• XLogP: 2.89
• TPSA: 113.94 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	382.36
LogP ≤ 5	2.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

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 5-(azidomethyl)-3-[3-fluoro-4-[4-(imidazol-1-ylmethyl)imidazol-1-yl]phenyl]-1,3-oxazolidin-2-one?

The IUPAC name of 5-(azidomethyl)-3-[3-fluoro-4-[4-(imidazol-1-ylmethyl)imidazol-1-yl]phenyl]-1,3-oxazolidin-2-one (CID 86648044) is 5-(azidomethyl)-3-[3-fluoro-4-[4-(imidazol-1-ylmethyl)imidazol-1-yl]phenyl]-1,3-oxazolidin-2-one.

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

The canonical SMILES for 5-(azidomethyl)-3-[3-fluoro-4-[4-(imidazol-1-ylmethyl)imidazol-1-yl]phenyl]-1,3-oxazolidin-2-one is [N-]=[N+]=NCC1CN(c2ccc(-n3cnc(Cn4ccnc4)c3)c(F)c2)C(=O)O1.

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

The InChIKey is ROLPULYXFDDUSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN8O2/c18-15-5-13(26-9-14(6-22-23-19)28-17(26)27)1-2-16(15)25-8-12(21-11-25)7-24-4-3-20-10-24/h1-5,8,10-11,14H,6-7,9H2.

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

5-(azidomethyl)-3-[3-fluoro-4-[4-(imidazol-1-ylmethyl)imidazol-1-yl]phenyl]-1,3-oxazolidin-2-one has a molecular weight of 382.36 g/mol, XLogP of 2.89, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(azidomethyl)-3-[3-fluoro-4-[4-(imidazol-1-ylmethyl)imidazol-1-yl]phenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 86648044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).