(4S,5S)-4-benzyl-5-ethyl-1,3-oxazolidin-2-one

C12H15NO2 — CID 14023295

IUPAC(4S,5S)-4-benzyl-5-ethyl-1,3-oxazolidin-2-one
SMILESCC[C@@H]1OC(=O)N[C@H]1Cc1ccccc1
InChIInChI=1S/C12H15NO2/c1-2-11-10(13-12(14)15-11)8-9-6-4-3-5-7-9/h3-7,10-11H,2,8H2,1H3,(H,13,14)/t10-,11-/m0/s1
InChIKeyDPCQILSTVAPJSV-QWRGUYRKSA-N
MW205.26 g/mol
LogP2.12
Rot. Bonds3

About (4S,5S)-4-benzyl-5-ethyl-1,3-oxazolidin-2-one

(4S,5S)-4-benzyl-5-ethyl-1,3-oxazolidin-2-one (PubChem CID 14023295) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is (4S,5S)-4-benzyl-5-ethyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S,5S)-4-benzyl-5-ethyl-1,3-oxazolidin-2-one
PubChem CID14023295
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name(4S,5S)-4-benzyl-5-ethyl-1,3-oxazolidin-2-one
SMILESCC[C@@H]1OC(=O)N[C@H]1Cc1ccccc1
InChIInChI=1S/C12H15NO2/c1-2-11-10(13-12(14)15-11)8-9-6-4-3-5-7-9/h3-7,10-11H,2,8H2,1H3,(H,13,14)/t10-,11-/m0/s1
InChIKeyDPCQILSTVAPJSV-QWRGUYRKSA-N
XLogP2.12
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4S,5S)-4-benzyl-5-ethyl-1,3-oxazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4S,5S)-5-ethyl-4-(phenylmethoxymethyl)-1,3-oxazolidin-2-one
CID 11791160
(4R,5R)-4-[(4-bromophenyl)methyl]-5-ethyl-1,3-oxazolidin-2-one;carbon dioxide
CID 160814022
(4S,5S)-4-benzyl-5-[(4S,5S)-4-benzyl-2-oxo-1,3-oxazolidin-5-yl]-1,3-oxazolidin-2-one
CID 15012939
5-benzyl-4-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 115062429
5-[(2S)-2-amino-3-phenylpropyl]-4-benzyl-1,3-oxazolidin-2-one
CID 67959001
(4S,5S)-4-benzyl-5-(hydroxymethyl)-1,3-oxazolidin-2-one;(4S,5S)-4-benzyl-2-oxo-1,3-oxazolidine-5-carboxylic acid
CID 158691447
[(4S,5R)-4-benzyl-2-oxo-1,3-oxazolidin-5-yl]methyl 4-methylbenzenesulfonate
CID 101065289
(4S)-4-benzyl-5-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)-1,3-oxazolidin-2-one
CID 121233789
(4R)-4-benzyl-5-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)-1,3-oxazolidin-2-one
CID 155884904
(4R,5S)-4-butyl-5-(2-phenylethyl)-1,3-oxazolidin-2-one
CID 11253654
4-benzyl-3-ethylazetidin-2-one
CID 85185683
(4S,5S)-4-benzyl-2-oxo-1,3-oxazolidine-5-carboperoxoic acid
CID 59131647

Frequently Asked Questions

What is the IUPAC name of (4S,5S)-4-benzyl-5-ethyl-1,3-oxazolidin-2-one?
The IUPAC name of (4S,5S)-4-benzyl-5-ethyl-1,3-oxazolidin-2-one (CID 14023295) is (4S,5S)-4-benzyl-5-ethyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S,5S)-4-benzyl-5-ethyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S,5S)-4-benzyl-5-ethyl-1,3-oxazolidin-2-one is CC[C@@H]1OC(=O)N[C@H]1Cc1ccccc1.
What is the InChIKey of (4S,5S)-4-benzyl-5-ethyl-1,3-oxazolidin-2-one?
The InChIKey is DPCQILSTVAPJSV-QWRGUYRKSA-N. The full InChI is InChI=1S/C12H15NO2/c1-2-11-10(13-12(14)15-11)8-9-6-4-3-5-7-9/h3-7,10-11H,2,8H2,1H3,(H,13,14)/t10-,11-/m0/s1.
What are the key properties of (4S,5S)-4-benzyl-5-ethyl-1,3-oxazolidin-2-one?
(4S,5S)-4-benzyl-5-ethyl-1,3-oxazolidin-2-one has a molecular weight of 205.26 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-4-benzyl-5-ethyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 14023295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).