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

C14H19NO3 — CID 568720

IUPAC4-hydroxy-4,5,5-trimethyl-3-(2-phenylethyl)-1,3-oxazolidin-2-one
SMILESCC1(C)OC(=O)N(CCc2ccccc2)C1(C)O
InChIInChI=1S/C14H19NO3/c1-13(2)14(3,17)15(12(16)18-13)10-9-11-7-5-4-6-8-11/h4-8,17H,9-10H2,1-3H3
InChIKeyBWUKTKIATRPNJO-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.17
Rot. Bonds3

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

4-hydroxy-4,5,5-trimethyl-3-(2-phenylethyl)-1,3-oxazolidin-2-one (PubChem CID 568720) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 4-hydroxy-4,5,5-trimethyl-3-(2-phenylethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-hydroxy-4,5,5-trimethyl-3-(2-phenylethyl)-1,3-oxazolidin-2-one
PubChem CID568720
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name4-hydroxy-4,5,5-trimethyl-3-(2-phenylethyl)-1,3-oxazolidin-2-one
SMILESCC1(C)OC(=O)N(CCc2ccccc2)C1(C)O
InChIInChI=1S/C14H19NO3/c1-13(2)14(3,17)15(12(16)18-13)10-9-11-7-5-4-6-8-11/h4-8,17H,9-10H2,1-3H3
InChIKeyBWUKTKIATRPNJO-UHFFFAOYSA-N
XLogP2.17
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-4,5,5-trimethyl-3-(2-phenylethyl)-1,3-oxazolidin-2-one?
The IUPAC name of 4-hydroxy-4,5,5-trimethyl-3-(2-phenylethyl)-1,3-oxazolidin-2-one (CID 568720) is 4-hydroxy-4,5,5-trimethyl-3-(2-phenylethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-hydroxy-4,5,5-trimethyl-3-(2-phenylethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 4-hydroxy-4,5,5-trimethyl-3-(2-phenylethyl)-1,3-oxazolidin-2-one is CC1(C)OC(=O)N(CCc2ccccc2)C1(C)O.
What is the InChIKey of 4-hydroxy-4,5,5-trimethyl-3-(2-phenylethyl)-1,3-oxazolidin-2-one?
The InChIKey is BWUKTKIATRPNJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-13(2)14(3,17)15(12(16)18-13)10-9-11-7-5-4-6-8-11/h4-8,17H,9-10H2,1-3H3.
What are the key properties of 4-hydroxy-4,5,5-trimethyl-3-(2-phenylethyl)-1,3-oxazolidin-2-one?
4-hydroxy-4,5,5-trimethyl-3-(2-phenylethyl)-1,3-oxazolidin-2-one has a molecular weight of 249.31 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-4,5,5-trimethyl-3-(2-phenylethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 568720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).