5-(azidomethyl)-5-methyl-1,3-oxazolidin-2-one

C5H8N4O2 — CID 118272400

IUPAC5-(azidomethyl)-5-methyl-1,3-oxazolidin-2-one
SMILESCC1(CN=[N+]=[N-])CNC(=O)O1
InChIInChI=1S/C5H8N4O2/c1-5(3-8-9-6)2-7-4(10)11-5/h2-3H2,1H3,(H,7,10)
InChIKeySWLAXNWWJKILSQ-UHFFFAOYSA-N
MW156.14 g/mol
LogP0.80
Rot. Bonds2

About 5-(azidomethyl)-5-methyl-1,3-oxazolidin-2-one

5-(azidomethyl)-5-methyl-1,3-oxazolidin-2-one (PubChem CID 118272400) has the molecular formula C5H8N4O2 and a molecular weight of 156.14 g/mol. Its IUPAC name is 5-(azidomethyl)-5-methyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-(azidomethyl)-5-methyl-1,3-oxazolidin-2-one
PubChem CID118272400
Molecular FormulaC5H8N4O2
Molecular Weight156.14 g/mol
Exact Mass156.06
IUPAC Name5-(azidomethyl)-5-methyl-1,3-oxazolidin-2-one
SMILESCC1(CN=[N+]=[N-])CNC(=O)O1
InChIInChI=1S/C5H8N4O2/c1-5(3-8-9-6)2-7-4(10)11-5/h2-3H2,1H3,(H,7,10)
InChIKeySWLAXNWWJKILSQ-UHFFFAOYSA-N
XLogP0.80
TPSA87.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.14
LogP ≤ 50.80
H-Bond Donors ≤ 51
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'}

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Frequently Asked Questions

What is the IUPAC name of 5-(azidomethyl)-5-methyl-1,3-oxazolidin-2-one?
The IUPAC name of 5-(azidomethyl)-5-methyl-1,3-oxazolidin-2-one (CID 118272400) is 5-(azidomethyl)-5-methyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-(azidomethyl)-5-methyl-1,3-oxazolidin-2-one?
The canonical SMILES for 5-(azidomethyl)-5-methyl-1,3-oxazolidin-2-one is CC1(CN=[N+]=[N-])CNC(=O)O1.
What is the InChIKey of 5-(azidomethyl)-5-methyl-1,3-oxazolidin-2-one?
The InChIKey is SWLAXNWWJKILSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4O2/c1-5(3-8-9-6)2-7-4(10)11-5/h2-3H2,1H3,(H,7,10).
What are the key properties of 5-(azidomethyl)-5-methyl-1,3-oxazolidin-2-one?
5-(azidomethyl)-5-methyl-1,3-oxazolidin-2-one has a molecular weight of 156.14 g/mol, XLogP of 0.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azidomethyl)-5-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 118272400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).