5-(azidomethyl)-1,2-oxazole

C4H4N4O — CID 46942310

IUPAC5-(azidomethyl)-1,2-oxazole
SMILES[N-]=[N+]=NCc1ccno1
InChIInChI=1S/C4H4N4O/c5-8-6-3-4-1-2-7-9-4/h1-2H,3H2
InChIKeyMDLUEJPHKVRVGJ-UHFFFAOYSA-N
MW124.10 g/mol
LogP1.48
Rot. Bonds2

About 5-(azidomethyl)-1,2-oxazole

5-(azidomethyl)-1,2-oxazole (PubChem CID 46942310) has the molecular formula C4H4N4O and a molecular weight of 124.10 g/mol. Its IUPAC name is 5-(azidomethyl)-1,2-oxazole.

Molecular Properties

Compound Name5-(azidomethyl)-1,2-oxazole
PubChem CID46942310
Molecular FormulaC4H4N4O
Molecular Weight124.10 g/mol
Exact Mass124.04
IUPAC Name5-(azidomethyl)-1,2-oxazole
SMILES[N-]=[N+]=NCc1ccno1
InChIInChI=1S/C4H4N4O/c5-8-6-3-4-1-2-7-9-4/h1-2H,3H2
InChIKeyMDLUEJPHKVRVGJ-UHFFFAOYSA-N
XLogP1.48
TPSA74.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.10
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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'}

Analyze 5-(azidomethyl)-1,2-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(azidomethyl)-1,2-oxazole?
The IUPAC name of 5-(azidomethyl)-1,2-oxazole (CID 46942310) is 5-(azidomethyl)-1,2-oxazole.
What is the SMILES notation for 5-(azidomethyl)-1,2-oxazole?
The canonical SMILES for 5-(azidomethyl)-1,2-oxazole is [N-]=[N+]=NCc1ccno1.
What is the InChIKey of 5-(azidomethyl)-1,2-oxazole?
The InChIKey is MDLUEJPHKVRVGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N4O/c5-8-6-3-4-1-2-7-9-4/h1-2H,3H2.
What are the key properties of 5-(azidomethyl)-1,2-oxazole?
5-(azidomethyl)-1,2-oxazole has a molecular weight of 124.10 g/mol, XLogP of 1.48, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azidomethyl)-1,2-oxazole is sourced from PubChem (CID 46942310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).