(4S,5S)-5-(azidomethyl)-3-methyl-4-phenyl-1,3-oxazolidin-2-one

C11H12N4O2 — CID 159625166

IUPAC(4S,5S)-5-(azidomethyl)-3-methyl-4-phenyl-1,3-oxazolidin-2-one
SMILESCN1C(=O)O[C@@H](CN=[N+]=[N-])[C@@H]1c1ccccc1
InChIInChI=1S/C11H12N4O2/c1-15-10(8-5-3-2-4-6-8)9(7-13-14-12)17-11(15)16/h2-6,9-10H,7H2,1H3/t9-,10-/m0/s1
InChIKeyPNPVTXLTGOSIID-UWVGGRQHSA-N
MW232.24 g/mol
LogP2.49
Rot. Bonds3

About (4S,5S)-5-(azidomethyl)-3-methyl-4-phenyl-1,3-oxazolidin-2-one

(4S,5S)-5-(azidomethyl)-3-methyl-4-phenyl-1,3-oxazolidin-2-one (PubChem CID 159625166) has the molecular formula C11H12N4O2 and a molecular weight of 232.24 g/mol. Its IUPAC name is (4S,5S)-5-(azidomethyl)-3-methyl-4-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S,5S)-5-(azidomethyl)-3-methyl-4-phenyl-1,3-oxazolidin-2-one
PubChem CID159625166
Molecular FormulaC11H12N4O2
Molecular Weight232.24 g/mol
Exact Mass232.10
IUPAC Name(4S,5S)-5-(azidomethyl)-3-methyl-4-phenyl-1,3-oxazolidin-2-one
SMILESCN1C(=O)O[C@@H](CN=[N+]=[N-])[C@@H]1c1ccccc1
InChIInChI=1S/C11H12N4O2/c1-15-10(8-5-3-2-4-6-8)9(7-13-14-12)17-11(15)16/h2-6,9-10H,7H2,1H3/t9-,10-/m0/s1
InChIKeyPNPVTXLTGOSIID-UWVGGRQHSA-N
XLogP2.49
TPSA78.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 52.49
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 (4S,5S)-5-(azidomethyl)-3-methyl-4-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of (4S,5S)-5-(azidomethyl)-3-methyl-4-phenyl-1,3-oxazolidin-2-one (CID 159625166) is (4S,5S)-5-(azidomethyl)-3-methyl-4-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S,5S)-5-(azidomethyl)-3-methyl-4-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S,5S)-5-(azidomethyl)-3-methyl-4-phenyl-1,3-oxazolidin-2-one is CN1C(=O)O[C@@H](CN=[N+]=[N-])[C@@H]1c1ccccc1.
What is the InChIKey of (4S,5S)-5-(azidomethyl)-3-methyl-4-phenyl-1,3-oxazolidin-2-one?
The InChIKey is PNPVTXLTGOSIID-UWVGGRQHSA-N. The full InChI is InChI=1S/C11H12N4O2/c1-15-10(8-5-3-2-4-6-8)9(7-13-14-12)17-11(15)16/h2-6,9-10H,7H2,1H3/t9-,10-/m0/s1.
What are the key properties of (4S,5S)-5-(azidomethyl)-3-methyl-4-phenyl-1,3-oxazolidin-2-one?
(4S,5S)-5-(azidomethyl)-3-methyl-4-phenyl-1,3-oxazolidin-2-one has a molecular weight of 232.24 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-5-(azidomethyl)-3-methyl-4-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 159625166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).