5-(azidomethyl)-3-(4-propan-2-ylphenyl)-1,3-oxazolidin-2-one

C13H16N4O2 — CID 14011248

IUPAC5-(azidomethyl)-3-(4-propan-2-ylphenyl)-1,3-oxazolidin-2-one
SMILESCC(C)c1ccc(N2CC(CN=[N+]=[N-])OC2=O)cc1
InChIInChI=1S/C13H16N4O2/c1-9(2)10-3-5-11(6-4-10)17-8-12(7-15-16-14)19-13(17)18/h3-6,9,12H,7-8H2,1-2H3
InChIKeyBEQDBKQJGWFXQD-UHFFFAOYSA-N
MW260.30 g/mol
LogP3.45
Rot. Bonds4

About 5-(azidomethyl)-3-(4-propan-2-ylphenyl)-1,3-oxazolidin-2-one

5-(azidomethyl)-3-(4-propan-2-ylphenyl)-1,3-oxazolidin-2-one (PubChem CID 14011248) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 5-(azidomethyl)-3-(4-propan-2-ylphenyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-(azidomethyl)-3-(4-propan-2-ylphenyl)-1,3-oxazolidin-2-one
PubChem CID14011248
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name5-(azidomethyl)-3-(4-propan-2-ylphenyl)-1,3-oxazolidin-2-one
SMILESCC(C)c1ccc(N2CC(CN=[N+]=[N-])OC2=O)cc1
InChIInChI=1S/C13H16N4O2/c1-9(2)10-3-5-11(6-4-10)17-8-12(7-15-16-14)19-13(17)18/h3-6,9,12H,7-8H2,1-2H3
InChIKeyBEQDBKQJGWFXQD-UHFFFAOYSA-N
XLogP3.45
TPSA78.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 53.45
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

5-(azidomethyl)-3-(4-methylphenyl)-1,3-oxazolidin-2-one
CID 58239154
(5R)-5-(azidomethyl)-3-phenyl-1,3-oxazolidin-2-one
CID 11458625
5-(azidomethyl)-3-phenyl-1,3-oxazolidin-2-one
CID 14011262
(5R)-5-(azidomethyl)-3-(3-fluoro-4-methylsulfanylphenyl)-1,3-oxazolidin-2-one
CID 59905900
5-(azidomethyl)-3-[4-(4-methoxy-5-oxocyclohepta-1,3,6-trien-1-yl)phenyl]-1,3-oxazolidin-2-one
CID 15813590
(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
(5S)-3-[4-(2-azidoethyl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 59667582
5-(azidomethyl)-3-(6-oxo-5,7,8,9-tetrahydrobenzo[7]annulen-3-yl)-1,3-oxazolidin-2-one
CID 72636944
(5R)-5-(azidomethyl)-3-[4-(4,4-dimethyl-1,4-azasilinan-1-yl)-3-fluorophenyl]-1,3-oxazolidin-2-one
CID 71548966
(5R)-5-(azidomethyl)-3-[3-fluoro-4-(2-oxo-3-phenylimidazolidin-1-yl)phenyl]-1,3-oxazolidin-2-one
CID 58619742
(2,3,4,5,6-pentafluorophenyl) 4-[(5S)-5-(azidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorobenzoate
CID 22966216

Frequently Asked Questions

What is the IUPAC name of 5-(azidomethyl)-3-(4-propan-2-ylphenyl)-1,3-oxazolidin-2-one?
The IUPAC name of 5-(azidomethyl)-3-(4-propan-2-ylphenyl)-1,3-oxazolidin-2-one (CID 14011248) is 5-(azidomethyl)-3-(4-propan-2-ylphenyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-(azidomethyl)-3-(4-propan-2-ylphenyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 5-(azidomethyl)-3-(4-propan-2-ylphenyl)-1,3-oxazolidin-2-one is CC(C)c1ccc(N2CC(CN=[N+]=[N-])OC2=O)cc1.
What is the InChIKey of 5-(azidomethyl)-3-(4-propan-2-ylphenyl)-1,3-oxazolidin-2-one?
The InChIKey is BEQDBKQJGWFXQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-9(2)10-3-5-11(6-4-10)17-8-12(7-15-16-14)19-13(17)18/h3-6,9,12H,7-8H2,1-2H3.
What are the key properties of 5-(azidomethyl)-3-(4-propan-2-ylphenyl)-1,3-oxazolidin-2-one?
5-(azidomethyl)-3-(4-propan-2-ylphenyl)-1,3-oxazolidin-2-one has a molecular weight of 260.30 g/mol, XLogP of 3.45, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azidomethyl)-3-(4-propan-2-ylphenyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 14011248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).