(5R)-5-(azidomethyl)-3-phenyl-1,3-oxazolidin-2-one

C10H10N4O2 — CID 11458625

IUPAC(5R)-5-(azidomethyl)-3-phenyl-1,3-oxazolidin-2-one
SMILES[N-]=[N+]=NC[C@H]1CN(c2ccccc2)C(=O)O1
InChIInChI=1S/C10H10N4O2/c11-13-12-6-9-7-14(10(15)16-9)8-4-2-1-3-5-8/h1-5,9H,6-7H2/t9-/m0/s1
InChIKeyJTNYNJOPHPELKE-VIFPVBQESA-N
MW218.22 g/mol
LogP2.32
Rot. Bonds3

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

(5R)-5-(azidomethyl)-3-phenyl-1,3-oxazolidin-2-one (PubChem CID 11458625) has the molecular formula C10H10N4O2 and a molecular weight of 218.22 g/mol. Its IUPAC name is (5R)-5-(azidomethyl)-3-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5R)-5-(azidomethyl)-3-phenyl-1,3-oxazolidin-2-one
PubChem CID11458625
Molecular FormulaC10H10N4O2
Molecular Weight218.22 g/mol
Exact Mass218.08
IUPAC Name(5R)-5-(azidomethyl)-3-phenyl-1,3-oxazolidin-2-one
SMILES[N-]=[N+]=NC[C@H]1CN(c2ccccc2)C(=O)O1
InChIInChI=1S/C10H10N4O2/c11-13-12-6-9-7-14(10(15)16-9)8-4-2-1-3-5-8/h1-5,9H,6-7H2/t9-/m0/s1
InChIKeyJTNYNJOPHPELKE-VIFPVBQESA-N
XLogP2.32
TPSA78.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 52.32
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'}

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-(azidomethyl)-3-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of (5R)-5-(azidomethyl)-3-phenyl-1,3-oxazolidin-2-one (CID 11458625) is (5R)-5-(azidomethyl)-3-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (5R)-5-(azidomethyl)-3-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for (5R)-5-(azidomethyl)-3-phenyl-1,3-oxazolidin-2-one is [N-]=[N+]=NC[C@H]1CN(c2ccccc2)C(=O)O1.
What is the InChIKey of (5R)-5-(azidomethyl)-3-phenyl-1,3-oxazolidin-2-one?
The InChIKey is JTNYNJOPHPELKE-VIFPVBQESA-N. The full InChI is InChI=1S/C10H10N4O2/c11-13-12-6-9-7-14(10(15)16-9)8-4-2-1-3-5-8/h1-5,9H,6-7H2/t9-/m0/s1.
What are the key properties of (5R)-5-(azidomethyl)-3-phenyl-1,3-oxazolidin-2-one?
(5R)-5-(azidomethyl)-3-phenyl-1,3-oxazolidin-2-one has a molecular weight of 218.22 g/mol, XLogP of 2.32, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(azidomethyl)-3-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 11458625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).