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

C8H10N6O2 — CID 175054795

IUPAC(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
InChIInChI=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
InChIKeyMVYTVOOCOXQIPJ-LURJTMIESA-N
MW222.21 g/mol
LogP0.59
Rot. Bonds3

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 CID175054795
Molecular FormulaC8H10N6O2
Molecular Weight222.21 g/mol
Exact Mass222.09
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
InChIInChI=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
InChIKeyMVYTVOOCOXQIPJ-LURJTMIESA-N
XLogP0.59
TPSA102.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.21
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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'}

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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).