3-(4-fluoroanilino)-4-hydroxy-4,5,5-trimethyl-1,3-oxazolidin-2-one

C12H15FN2O3 — CID 5305250

IUPAC3-(4-fluoroanilino)-4-hydroxy-4,5,5-trimethyl-1,3-oxazolidin-2-one
SMILESCC1(C)OC(=O)N(Nc2ccc(F)cc2)C1(C)O
InChIInChI=1S/C12H15FN2O3/c1-11(2)12(3,17)15(10(16)18-11)14-9-6-4-8(13)5-7-9/h4-7,14,17H,1-3H3
InChIKeyPTJITICAANPJOV-UHFFFAOYSA-N
MW254.26 g/mol
LogP2.09
Rot. Bonds2

About 3-(4-fluoroanilino)-4-hydroxy-4,5,5-trimethyl-1,3-oxazolidin-2-one

3-(4-fluoroanilino)-4-hydroxy-4,5,5-trimethyl-1,3-oxazolidin-2-one (PubChem CID 5305250) has the molecular formula C12H15FN2O3 and a molecular weight of 254.26 g/mol. Its IUPAC name is 3-(4-fluoroanilino)-4-hydroxy-4,5,5-trimethyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-(4-fluoroanilino)-4-hydroxy-4,5,5-trimethyl-1,3-oxazolidin-2-one
PubChem CID5305250
Molecular FormulaC12H15FN2O3
Molecular Weight254.26 g/mol
Exact Mass254.11
IUPAC Name3-(4-fluoroanilino)-4-hydroxy-4,5,5-trimethyl-1,3-oxazolidin-2-one
SMILESCC1(C)OC(=O)N(Nc2ccc(F)cc2)C1(C)O
InChIInChI=1S/C12H15FN2O3/c1-11(2)12(3,17)15(10(16)18-11)14-9-6-4-8(13)5-7-9/h4-7,14,17H,1-3H3
InChIKeyPTJITICAANPJOV-UHFFFAOYSA-N
XLogP2.09
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.26
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoroanilino)-4-hydroxy-4,5,5-trimethyl-1,3-oxazolidin-2-one?
The IUPAC name of 3-(4-fluoroanilino)-4-hydroxy-4,5,5-trimethyl-1,3-oxazolidin-2-one (CID 5305250) is 3-(4-fluoroanilino)-4-hydroxy-4,5,5-trimethyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-(4-fluoroanilino)-4-hydroxy-4,5,5-trimethyl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-(4-fluoroanilino)-4-hydroxy-4,5,5-trimethyl-1,3-oxazolidin-2-one is CC1(C)OC(=O)N(Nc2ccc(F)cc2)C1(C)O.
What is the InChIKey of 3-(4-fluoroanilino)-4-hydroxy-4,5,5-trimethyl-1,3-oxazolidin-2-one?
The InChIKey is PTJITICAANPJOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O3/c1-11(2)12(3,17)15(10(16)18-11)14-9-6-4-8(13)5-7-9/h4-7,14,17H,1-3H3.
What are the key properties of 3-(4-fluoroanilino)-4-hydroxy-4,5,5-trimethyl-1,3-oxazolidin-2-one?
3-(4-fluoroanilino)-4-hydroxy-4,5,5-trimethyl-1,3-oxazolidin-2-one has a molecular weight of 254.26 g/mol, XLogP of 2.09, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoroanilino)-4-hydroxy-4,5,5-trimethyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 5305250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).