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

C11H12N4O2S — CID 11948706

IUPAC(4S,5S)-5-(azidomethyl)-3-methylsulfanyl-4-phenyl-1,3-oxazolidin-2-one
SMILESCSN1C(=O)O[C@@H](CN=[N+]=[N-])[C@@H]1c1ccccc1
InChIInChI=1S/C11H12N4O2S/c1-18-15-10(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
InChIKeyCVLSMPRYYWMNIF-UWVGGRQHSA-N
MW264.31 g/mol
LogP3.14
Rot. Bonds4

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

(4S,5S)-5-(azidomethyl)-3-methylsulfanyl-4-phenyl-1,3-oxazolidin-2-one (PubChem CID 11948706) has the molecular formula C11H12N4O2S and a molecular weight of 264.31 g/mol. Its IUPAC name is (4S,5S)-5-(azidomethyl)-3-methylsulfanyl-4-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S,5S)-5-(azidomethyl)-3-methylsulfanyl-4-phenyl-1,3-oxazolidin-2-one
PubChem CID11948706
Molecular FormulaC11H12N4O2S
Molecular Weight264.31 g/mol
Exact Mass264.07
IUPAC Name(4S,5S)-5-(azidomethyl)-3-methylsulfanyl-4-phenyl-1,3-oxazolidin-2-one
SMILESCSN1C(=O)O[C@@H](CN=[N+]=[N-])[C@@H]1c1ccccc1
InChIInChI=1S/C11H12N4O2S/c1-18-15-10(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
InChIKeyCVLSMPRYYWMNIF-UWVGGRQHSA-N
XLogP3.14
TPSA78.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.31
LogP ≤ 53.14
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': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4S,5S)-5-(azidomethyl)-3-methylsulfanyl-4-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of (4S,5S)-5-(azidomethyl)-3-methylsulfanyl-4-phenyl-1,3-oxazolidin-2-one (CID 11948706) is (4S,5S)-5-(azidomethyl)-3-methylsulfanyl-4-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S,5S)-5-(azidomethyl)-3-methylsulfanyl-4-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S,5S)-5-(azidomethyl)-3-methylsulfanyl-4-phenyl-1,3-oxazolidin-2-one is CSN1C(=O)O[C@@H](CN=[N+]=[N-])[C@@H]1c1ccccc1.
What is the InChIKey of (4S,5S)-5-(azidomethyl)-3-methylsulfanyl-4-phenyl-1,3-oxazolidin-2-one?
The InChIKey is CVLSMPRYYWMNIF-UWVGGRQHSA-N. The full InChI is InChI=1S/C11H12N4O2S/c1-18-15-10(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-methylsulfanyl-4-phenyl-1,3-oxazolidin-2-one?
(4S,5S)-5-(azidomethyl)-3-methylsulfanyl-4-phenyl-1,3-oxazolidin-2-one has a molecular weight of 264.31 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-5-(azidomethyl)-3-methylsulfanyl-4-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 11948706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).