3-[(E)-(3-fluoro-2-hydroxy-5-propan-2-ylphenyl)methylideneamino]-1,3-oxazolidin-2-one

C13H15FN2O3 — CID 170688095

IUPAC3-[(E)-(3-fluoro-2-hydroxy-5-propan-2-ylphenyl)methylideneamino]-1,3-oxazolidin-2-one
SMILESCC(C)c1cc(F)c(O)c(/C=N/N2CCOC2=O)c1
InChIInChI=1S/C13H15FN2O3/c1-8(2)9-5-10(12(17)11(14)6-9)7-15-16-3-4-19-13(16)18/h5-8,17H,3-4H2,1-2H3/b15-7+
InChIKeyZPOSENSRAFFENG-VIZOYTHASA-N
MW266.27 g/mol
LogP2.44
Rot. Bonds3

About 3-[(E)-(3-fluoro-2-hydroxy-5-propan-2-ylphenyl)methylideneamino]-1,3-oxazolidin-2-one

3-[(E)-(3-fluoro-2-hydroxy-5-propan-2-ylphenyl)methylideneamino]-1,3-oxazolidin-2-one (PubChem CID 170688095) has the molecular formula C13H15FN2O3 and a molecular weight of 266.27 g/mol. Its IUPAC name is 3-[(E)-(3-fluoro-2-hydroxy-5-propan-2-ylphenyl)methylideneamino]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[(E)-(3-fluoro-2-hydroxy-5-propan-2-ylphenyl)methylideneamino]-1,3-oxazolidin-2-one
PubChem CID170688095
Molecular FormulaC13H15FN2O3
Molecular Weight266.27 g/mol
Exact Mass266.11
IUPAC Name3-[(E)-(3-fluoro-2-hydroxy-5-propan-2-ylphenyl)methylideneamino]-1,3-oxazolidin-2-one
SMILESCC(C)c1cc(F)c(O)c(/C=N/N2CCOC2=O)c1
InChIInChI=1S/C13H15FN2O3/c1-8(2)9-5-10(12(17)11(14)6-9)7-15-16-3-4-19-13(16)18/h5-8,17H,3-4H2,1-2H3/b15-7+
InChIKeyZPOSENSRAFFENG-VIZOYTHASA-N
XLogP2.44
TPSA62.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.27
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-(3-fluoro-2-hydroxy-5-propan-2-ylphenyl)methylideneamino]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[(E)-(3-fluoro-2-hydroxy-5-propan-2-ylphenyl)methylideneamino]-1,3-oxazolidin-2-one (CID 170688095) is 3-[(E)-(3-fluoro-2-hydroxy-5-propan-2-ylphenyl)methylideneamino]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[(E)-(3-fluoro-2-hydroxy-5-propan-2-ylphenyl)methylideneamino]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[(E)-(3-fluoro-2-hydroxy-5-propan-2-ylphenyl)methylideneamino]-1,3-oxazolidin-2-one is CC(C)c1cc(F)c(O)c(/C=N/N2CCOC2=O)c1.
What is the InChIKey of 3-[(E)-(3-fluoro-2-hydroxy-5-propan-2-ylphenyl)methylideneamino]-1,3-oxazolidin-2-one?
The InChIKey is ZPOSENSRAFFENG-VIZOYTHASA-N. The full InChI is InChI=1S/C13H15FN2O3/c1-8(2)9-5-10(12(17)11(14)6-9)7-15-16-3-4-19-13(16)18/h5-8,17H,3-4H2,1-2H3/b15-7+.
What are the key properties of 3-[(E)-(3-fluoro-2-hydroxy-5-propan-2-ylphenyl)methylideneamino]-1,3-oxazolidin-2-one?
3-[(E)-(3-fluoro-2-hydroxy-5-propan-2-ylphenyl)methylideneamino]-1,3-oxazolidin-2-one has a molecular weight of 266.27 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-(3-fluoro-2-hydroxy-5-propan-2-ylphenyl)methylideneamino]-1,3-oxazolidin-2-one is sourced from PubChem (CID 170688095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).