1,3-oxazolidin-2-one azide

C3H5N4O2- — CID 22664916

IUPAC1,3-oxazolidin-2-one azide
SMILESO=C1NCCO1.[N-]=[N+]=[N-]
InChIInChI=1S/C3H5NO2.N3/c5-3-4-1-2-6-3;1-3-2/h1-2H2,(H,4,5);/q;-1
InChIKeyZQHJODCOEDDZDS-UHFFFAOYSA-N
MW129.10 g/mol
LogP0.59
Rot. Bonds

About 1,3-oxazolidin-2-one azide

1,3-oxazolidin-2-one azide (PubChem CID 22664916) has the molecular formula C3H5N4O2- and a molecular weight of 129.10 g/mol. Its IUPAC name is 1,3-oxazolidin-2-one azide.

Molecular Properties

Compound Name1,3-oxazolidin-2-one azide
PubChem CID22664916
Molecular FormulaC3H5N4O2-
Molecular Weight129.10 g/mol
Exact Mass129.04
IUPAC Name1,3-oxazolidin-2-one azide
SMILESO=C1NCCO1.[N-]=[N+]=[N-]
InChIInChI=1S/C3H5NO2.N3/c5-3-4-1-2-6-3;1-3-2/h1-2H2,(H,4,5);/q;-1
InChIKeyZQHJODCOEDDZDS-UHFFFAOYSA-N
XLogP0.59
TPSA97.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.10
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 1,3-oxazolidin-2-one azide?
The IUPAC name of 1,3-oxazolidin-2-one azide (CID 22664916) is 1,3-oxazolidin-2-one azide.
What is the SMILES notation for 1,3-oxazolidin-2-one azide?
The canonical SMILES for 1,3-oxazolidin-2-one azide is O=C1NCCO1.[N-]=[N+]=[N-].
What is the InChIKey of 1,3-oxazolidin-2-one azide?
The InChIKey is ZQHJODCOEDDZDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5NO2.N3/c5-3-4-1-2-6-3;1-3-2/h1-2H2,(H,4,5);/q;-1.
What are the key properties of 1,3-oxazolidin-2-one azide?
1,3-oxazolidin-2-one azide has a molecular weight of 129.10 g/mol, XLogP of 0.59, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-oxazolidin-2-one azide is sourced from PubChem (CID 22664916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).