(5S)-5-(hydroxymethyl)-3-[(1R)-1-phenylethyl]-1,3-oxazolidin-2-one

C12H15NO3 — CID 728617

IUPAC(5S)-5-(hydroxymethyl)-3-[(1R)-1-phenylethyl]-1,3-oxazolidin-2-one
SMILESC[C@H](c1ccccc1)N1C[C@@H](CO)OC1=O
InChIInChI=1S/C12H15NO3/c1-9(10-5-3-2-4-6-10)13-7-11(8-14)16-12(13)15/h2-6,9,11,14H,7-8H2,1H3/t9-,11+/m1/s1
InChIKeyDLSXXQPFKFHRSW-KOLCDFICSA-N
MW221.26 g/mol
LogP1.56
Rot. Bonds3

About (5S)-5-(hydroxymethyl)-3-[(1R)-1-phenylethyl]-1,3-oxazolidin-2-one

(5S)-5-(hydroxymethyl)-3-[(1R)-1-phenylethyl]-1,3-oxazolidin-2-one (PubChem CID 728617) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is (5S)-5-(hydroxymethyl)-3-[(1R)-1-phenylethyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5S)-5-(hydroxymethyl)-3-[(1R)-1-phenylethyl]-1,3-oxazolidin-2-one
PubChem CID728617
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Name(5S)-5-(hydroxymethyl)-3-[(1R)-1-phenylethyl]-1,3-oxazolidin-2-one
SMILESC[C@H](c1ccccc1)N1C[C@@H](CO)OC1=O
InChIInChI=1S/C12H15NO3/c1-9(10-5-3-2-4-6-10)13-7-11(8-14)16-12(13)15/h2-6,9,11,14H,7-8H2,1H3/t9-,11+/m1/s1
InChIKeyDLSXXQPFKFHRSW-KOLCDFICSA-N
XLogP1.56
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-(hydroxymethyl)-3-[(1R)-1-phenylethyl]-1,3-oxazolidin-2-one?
The IUPAC name of (5S)-5-(hydroxymethyl)-3-[(1R)-1-phenylethyl]-1,3-oxazolidin-2-one (CID 728617) is (5S)-5-(hydroxymethyl)-3-[(1R)-1-phenylethyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (5S)-5-(hydroxymethyl)-3-[(1R)-1-phenylethyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (5S)-5-(hydroxymethyl)-3-[(1R)-1-phenylethyl]-1,3-oxazolidin-2-one is C[C@H](c1ccccc1)N1C[C@@H](CO)OC1=O.
What is the InChIKey of (5S)-5-(hydroxymethyl)-3-[(1R)-1-phenylethyl]-1,3-oxazolidin-2-one?
The InChIKey is DLSXXQPFKFHRSW-KOLCDFICSA-N. The full InChI is InChI=1S/C12H15NO3/c1-9(10-5-3-2-4-6-10)13-7-11(8-14)16-12(13)15/h2-6,9,11,14H,7-8H2,1H3/t9-,11+/m1/s1.
What are the key properties of (5S)-5-(hydroxymethyl)-3-[(1R)-1-phenylethyl]-1,3-oxazolidin-2-one?
(5S)-5-(hydroxymethyl)-3-[(1R)-1-phenylethyl]-1,3-oxazolidin-2-one has a molecular weight of 221.26 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(hydroxymethyl)-3-[(1R)-1-phenylethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 728617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).