5-(azidomethyl)-3-[(2-methyloxiran-2-yl)methyl]-1,3-oxazolidin-2-one

C8H12N4O3 — CID 23081542

IUPAC5-(azidomethyl)-3-[(2-methyloxiran-2-yl)methyl]-1,3-oxazolidin-2-one
SMILESCC1(CN2CC(CN=[N+]=[N-])OC2=O)CO1
InChIInChI=1S/C8H12N4O3/c1-8(5-14-8)4-12-3-6(2-10-11-9)15-7(12)13/h6H,2-5H2,1H3
InChIKeyGYYINTFVKCFFGM-UHFFFAOYSA-N
MW212.21 g/mol
LogP0.91
Rot. Bonds4

About 5-(azidomethyl)-3-[(2-methyloxiran-2-yl)methyl]-1,3-oxazolidin-2-one

5-(azidomethyl)-3-[(2-methyloxiran-2-yl)methyl]-1,3-oxazolidin-2-one (PubChem CID 23081542) has the molecular formula C8H12N4O3 and a molecular weight of 212.21 g/mol. Its IUPAC name is 5-(azidomethyl)-3-[(2-methyloxiran-2-yl)methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-(azidomethyl)-3-[(2-methyloxiran-2-yl)methyl]-1,3-oxazolidin-2-one
PubChem CID23081542
Molecular FormulaC8H12N4O3
Molecular Weight212.21 g/mol
Exact Mass212.09
IUPAC Name5-(azidomethyl)-3-[(2-methyloxiran-2-yl)methyl]-1,3-oxazolidin-2-one
SMILESCC1(CN2CC(CN=[N+]=[N-])OC2=O)CO1
InChIInChI=1S/C8H12N4O3/c1-8(5-14-8)4-12-3-6(2-10-11-9)15-7(12)13/h6H,2-5H2,1H3
InChIKeyGYYINTFVKCFFGM-UHFFFAOYSA-N
XLogP0.91
TPSA90.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(azidomethyl)-3-[(2-methyloxiran-2-yl)methyl]-1,3-oxazolidin-2-one?
The IUPAC name of 5-(azidomethyl)-3-[(2-methyloxiran-2-yl)methyl]-1,3-oxazolidin-2-one (CID 23081542) is 5-(azidomethyl)-3-[(2-methyloxiran-2-yl)methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-(azidomethyl)-3-[(2-methyloxiran-2-yl)methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 5-(azidomethyl)-3-[(2-methyloxiran-2-yl)methyl]-1,3-oxazolidin-2-one is CC1(CN2CC(CN=[N+]=[N-])OC2=O)CO1.
What is the InChIKey of 5-(azidomethyl)-3-[(2-methyloxiran-2-yl)methyl]-1,3-oxazolidin-2-one?
The InChIKey is GYYINTFVKCFFGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O3/c1-8(5-14-8)4-12-3-6(2-10-11-9)15-7(12)13/h6H,2-5H2,1H3.
What are the key properties of 5-(azidomethyl)-3-[(2-methyloxiran-2-yl)methyl]-1,3-oxazolidin-2-one?
5-(azidomethyl)-3-[(2-methyloxiran-2-yl)methyl]-1,3-oxazolidin-2-one has a molecular weight of 212.21 g/mol, XLogP of 0.91, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azidomethyl)-3-[(2-methyloxiran-2-yl)methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 23081542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).