(5R)-5-(azidomethyl)-3-(1,2-dihydropyrazin-6-yl)-1,3-oxazolidin-2-one

C₈H₁₀N₆O₂ — CID 175054795

About (5R)-5-(azidomethyl)-3-(1,2-dihydropyrazin-6-yl)-1,3-oxazolidin-2-one

(5R)-5-(azidomethyl)-3-(1,2-dihydropyrazin-6-yl)-1,3-oxazolidin-2-one (PubChem CID 175054795) has the molecular formula C₈H₁₀N₆O₂ and a molecular weight of 222.21 g/mol. Its IUPAC name is (5R)-5-(azidomethyl)-3-(1,2-dihydropyrazin-6-yl)-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: (5R)-5-(azidomethyl)-3-(1,2-dihydropyrazin-6-yl)-1,3-oxazolidin-2-one
• PubChem CID: 175054795
• Molecular Formula: C₈H₁₀N₆O₂
• Molecular Weight: 222.21 g/mol
• Exact Mass: 222.09
• IUPAC Name: (5R)-5-(azidomethyl)-3-(1,2-dihydropyrazin-6-yl)-1,3-oxazolidin-2-one
• SMILES: [N-]=[N+]=NC[C@H]1CN(C2=CN=CCN2)C(=O)O1
• InChI: InChI=1S/C8H10N6O2/c9-13-12-3-6-5-14(8(15)16-6)7-4-10-1-2-11-7/h1,4,6,11H,2-3,5H2/t6-/m0/s1
• InChIKey: MVYTVOOCOXQIPJ-LURJTMIESA-N
• XLogP: 0.59
• TPSA: 102.69 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 16
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	222.21
LogP ≤ 5	0.59
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

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-(1,2-dihydropyrazin-6-yl)-1,3-oxazolidin-2-one?

The IUPAC name of (5R)-5-(azidomethyl)-3-(1,2-dihydropyrazin-6-yl)-1,3-oxazolidin-2-one (CID 175054795) is (5R)-5-(azidomethyl)-3-(1,2-dihydropyrazin-6-yl)-1,3-oxazolidin-2-one.

What is the SMILES notation for (5R)-5-(azidomethyl)-3-(1,2-dihydropyrazin-6-yl)-1,3-oxazolidin-2-one?

The canonical SMILES for (5R)-5-(azidomethyl)-3-(1,2-dihydropyrazin-6-yl)-1,3-oxazolidin-2-one is [N-]=[N+]=NC[C@H]1CN(C2=CN=CCN2)C(=O)O1.

What is the InChIKey of (5R)-5-(azidomethyl)-3-(1,2-dihydropyrazin-6-yl)-1,3-oxazolidin-2-one?

The InChIKey is MVYTVOOCOXQIPJ-LURJTMIESA-N. The full InChI is InChI=1S/C8H10N6O2/c9-13-12-3-6-5-14(8(15)16-6)7-4-10-1-2-11-7/h1,4,6,11H,2-3,5H2/t6-/m0/s1.

What are the key properties of (5R)-5-(azidomethyl)-3-(1,2-dihydropyrazin-6-yl)-1,3-oxazolidin-2-one?

(5R)-5-(azidomethyl)-3-(1,2-dihydropyrazin-6-yl)-1,3-oxazolidin-2-one has a molecular weight of 222.21 g/mol, XLogP of 0.59, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-5-(azidomethyl)-3-(1,2-dihydropyrazin-6-yl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 175054795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 175054795 — identifiers, structure, computed properties (public domain)

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