(4S,5S)-3-ethyl-4-hydroxy-4,5-dimethyl-5-(2-phenylethyl)-1,3-oxazolidin-2-one

C15H21NO3 — CID 718145

IUPAC(4S,5S)-3-ethyl-4-hydroxy-4,5-dimethyl-5-(2-phenylethyl)-1,3-oxazolidin-2-one
SMILESCCN1C(=O)O[C@@](C)(CCc2ccccc2)[C@]1(C)O
InChIInChI=1S/C15H21NO3/c1-4-16-13(17)19-14(2,15(16,3)18)11-10-12-8-6-5-7-9-12/h5-9,18H,4,10-11H2,1-3H3/t14-,15-/m0/s1
InChIKeySBWBIAMQMZZGPM-GJZGRUSLSA-N
MW263.34 g/mol
LogP2.56
Rot. Bonds4

About (4S,5S)-3-ethyl-4-hydroxy-4,5-dimethyl-5-(2-phenylethyl)-1,3-oxazolidin-2-one

(4S,5S)-3-ethyl-4-hydroxy-4,5-dimethyl-5-(2-phenylethyl)-1,3-oxazolidin-2-one (PubChem CID 718145) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is (4S,5S)-3-ethyl-4-hydroxy-4,5-dimethyl-5-(2-phenylethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S,5S)-3-ethyl-4-hydroxy-4,5-dimethyl-5-(2-phenylethyl)-1,3-oxazolidin-2-one
PubChem CID718145
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name(4S,5S)-3-ethyl-4-hydroxy-4,5-dimethyl-5-(2-phenylethyl)-1,3-oxazolidin-2-one
SMILESCCN1C(=O)O[C@@](C)(CCc2ccccc2)[C@]1(C)O
InChIInChI=1S/C15H21NO3/c1-4-16-13(17)19-14(2,15(16,3)18)11-10-12-8-6-5-7-9-12/h5-9,18H,4,10-11H2,1-3H3/t14-,15-/m0/s1
InChIKeySBWBIAMQMZZGPM-GJZGRUSLSA-N
XLogP2.56
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S,5S)-3-ethyl-4-hydroxy-4,5-dimethyl-5-(2-phenylethyl)-1,3-oxazolidin-2-one?
The IUPAC name of (4S,5S)-3-ethyl-4-hydroxy-4,5-dimethyl-5-(2-phenylethyl)-1,3-oxazolidin-2-one (CID 718145) is (4S,5S)-3-ethyl-4-hydroxy-4,5-dimethyl-5-(2-phenylethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S,5S)-3-ethyl-4-hydroxy-4,5-dimethyl-5-(2-phenylethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (4S,5S)-3-ethyl-4-hydroxy-4,5-dimethyl-5-(2-phenylethyl)-1,3-oxazolidin-2-one is CCN1C(=O)O[C@@](C)(CCc2ccccc2)[C@]1(C)O.
What is the InChIKey of (4S,5S)-3-ethyl-4-hydroxy-4,5-dimethyl-5-(2-phenylethyl)-1,3-oxazolidin-2-one?
The InChIKey is SBWBIAMQMZZGPM-GJZGRUSLSA-N. The full InChI is InChI=1S/C15H21NO3/c1-4-16-13(17)19-14(2,15(16,3)18)11-10-12-8-6-5-7-9-12/h5-9,18H,4,10-11H2,1-3H3/t14-,15-/m0/s1.
What are the key properties of (4S,5S)-3-ethyl-4-hydroxy-4,5-dimethyl-5-(2-phenylethyl)-1,3-oxazolidin-2-one?
(4S,5S)-3-ethyl-4-hydroxy-4,5-dimethyl-5-(2-phenylethyl)-1,3-oxazolidin-2-one has a molecular weight of 263.34 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-3-ethyl-4-hydroxy-4,5-dimethyl-5-(2-phenylethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 718145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).