4-azido-1,2-oxazolidine

C3H6N4O — CID 123816914

IUPAC4-azido-1,2-oxazolidine
SMILES[N-]=[N+]=NC1CNOC1
InChIInChI=1S/C3H6N4O/c4-7-6-3-1-5-8-2-3/h3,5H,1-2H2
InChIKeyNIPUFMAZFKGSPB-UHFFFAOYSA-N
MW114.11 g/mol
LogP0.20
Rot. Bonds1

About 4-azido-1,2-oxazolidine

4-azido-1,2-oxazolidine (PubChem CID 123816914) has the molecular formula C3H6N4O and a molecular weight of 114.11 g/mol. Its IUPAC name is 4-azido-1,2-oxazolidine.

Molecular Properties

Compound Name4-azido-1,2-oxazolidine
PubChem CID123816914
Molecular FormulaC3H6N4O
Molecular Weight114.11 g/mol
Exact Mass114.05
IUPAC Name4-azido-1,2-oxazolidine
SMILES[N-]=[N+]=NC1CNOC1
InChIInChI=1S/C3H6N4O/c4-7-6-3-1-5-8-2-3/h3,5H,1-2H2
InChIKeyNIPUFMAZFKGSPB-UHFFFAOYSA-N
XLogP0.20
TPSA70.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.11
LogP ≤ 50.20
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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Related Compounds

4,5-dimethyloxazinane
CID 177019669
azidocycloheptane
CID 14917746
trans-(3R,4R)-3,4-diazidocyclopentan-1-ol
CID 173485365
(2R,4R)-4-azido-2-ethylpyrrolidine
CID 134294180
(3S,3aR,6R,6aR)-3,6-diazido-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 90042500
(3R,3aS,6R,6aS)-3,6-diazido-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 133139298
1-azido-3-methylidenecyclobutane
CID 14967483
4-fluoro-1,2-oxazolidine
CID 166600468
(2R,3S)-5-azido-2-(hydroxymethyl)oxan-3-ol
CID 167005677
6-azido-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline
CID 90990198
(4aR,6S,8aR)-6-azido-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline
CID 130968980
5-azido-2-phenyl-1,3-dioxane
CID 59511058

Frequently Asked Questions

What is the IUPAC name of 4-azido-1,2-oxazolidine?
The IUPAC name of 4-azido-1,2-oxazolidine (CID 123816914) is 4-azido-1,2-oxazolidine.
What is the SMILES notation for 4-azido-1,2-oxazolidine?
The canonical SMILES for 4-azido-1,2-oxazolidine is [N-]=[N+]=NC1CNOC1.
What is the InChIKey of 4-azido-1,2-oxazolidine?
The InChIKey is NIPUFMAZFKGSPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N4O/c4-7-6-3-1-5-8-2-3/h3,5H,1-2H2.
What are the key properties of 4-azido-1,2-oxazolidine?
4-azido-1,2-oxazolidine has a molecular weight of 114.11 g/mol, XLogP of 0.20, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-azido-1,2-oxazolidine is sourced from PubChem (CID 123816914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).