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

C10H10N4O2 — CID 14011262

IUPAC5-(azidomethyl)-3-phenyl-1,3-oxazolidin-2-one
SMILES[N-]=[N+]=NCC1CN(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
InChIKeyJTNYNJOPHPELKE-UHFFFAOYSA-N
MW218.22 g/mol
LogP2.32
Rot. Bonds3

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

5-(azidomethyl)-3-phenyl-1,3-oxazolidin-2-one (PubChem CID 14011262) has the molecular formula C10H10N4O2 and a molecular weight of 218.22 g/mol. Its IUPAC name is 5-(azidomethyl)-3-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-(azidomethyl)-3-phenyl-1,3-oxazolidin-2-one
PubChem CID14011262
Molecular FormulaC10H10N4O2
Molecular Weight218.22 g/mol
Exact Mass218.08
IUPAC Name5-(azidomethyl)-3-phenyl-1,3-oxazolidin-2-one
SMILES[N-]=[N+]=NCC1CN(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
InChIKeyJTNYNJOPHPELKE-UHFFFAOYSA-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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Related Compounds

(5R)-5-(azidomethyl)-3-phenyl-1,3-oxazolidin-2-one
CID 11458625
5-(azidomethyl)-3-(4-methylphenyl)-1,3-oxazolidin-2-one
CID 58239154
5-(azidomethyl)-3-(4-propan-2-ylphenyl)-1,3-oxazolidin-2-one
CID 14011248
(5R)-5-(azidomethyl)-3-[3-fluoro-4-(2-oxo-3-phenylimidazolidin-1-yl)phenyl]-1,3-oxazolidin-2-one
CID 58619742
(5S)-5-(azidomethyl)-3-[4-(3-fluoro-4-oxopiperidin-1-yl)phenyl]-1,3-oxazolidin-2-one
CID 86591695
(5R)-5-(azidomethyl)-3-[4-(1,2-oxazol-3-yl)phenyl]-1,3-oxazolidin-2-one
CID 86604589
5-(2-aminoethyl)-3-phenyl-1,3-oxazolidin-2-one
CID 15117126
5-(azidomethyl)-3-[4-(4-methoxy-5-oxocyclohepta-1,3,6-trien-1-yl)phenyl]-1,3-oxazolidin-2-one
CID 15813590
(5R)-5-(chloromethyl)-3-phenyl-1,3-oxazolidin-2-one
CID 11310370
5-(fluoromethyl)-3-phenyl-1,3-oxazolidin-2-one
CID 555364
5-benzyl-3-phenyl-1,3-oxazolidin-2-one
CID 21393580
(5R)-5-(azidomethyl)-3-(3-fluoro-4-methylsulfanylphenyl)-1,3-oxazolidin-2-one
CID 59905900

Frequently Asked Questions

What is the IUPAC name of 5-(azidomethyl)-3-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of 5-(azidomethyl)-3-phenyl-1,3-oxazolidin-2-one (CID 14011262) is 5-(azidomethyl)-3-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-(azidomethyl)-3-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for 5-(azidomethyl)-3-phenyl-1,3-oxazolidin-2-one is [N-]=[N+]=NCC1CN(c2ccccc2)C(=O)O1.
What is the InChIKey of 5-(azidomethyl)-3-phenyl-1,3-oxazolidin-2-one?
The InChIKey is JTNYNJOPHPELKE-UHFFFAOYSA-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.
What are the key properties of 5-(azidomethyl)-3-phenyl-1,3-oxazolidin-2-one?
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 5-(azidomethyl)-3-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 14011262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).