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

C13H17NO3 — CID 11791160

IUPAC(4S,5S)-5-ethyl-4-(phenylmethoxymethyl)-1,3-oxazolidin-2-one
SMILESCC[C@@H]1OC(=O)N[C@H]1COCc1ccccc1
InChIInChI=1S/C13H17NO3/c1-2-12-11(14-13(15)17-12)9-16-8-10-6-4-3-5-7-10/h3-7,11-12H,2,8-9H2,1H3,(H,14,15)/t11-,12-/m0/s1
InChIKeyLCUGRETYCCVSEY-RYUDHWBXSA-N
MW235.28 g/mol
LogP2.09
Rot. Bonds5

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

(4S,5S)-5-ethyl-4-(phenylmethoxymethyl)-1,3-oxazolidin-2-one (PubChem CID 11791160) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is (4S,5S)-5-ethyl-4-(phenylmethoxymethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S,5S)-5-ethyl-4-(phenylmethoxymethyl)-1,3-oxazolidin-2-one
PubChem CID11791160
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name(4S,5S)-5-ethyl-4-(phenylmethoxymethyl)-1,3-oxazolidin-2-one
SMILESCC[C@@H]1OC(=O)N[C@H]1COCc1ccccc1
InChIInChI=1S/C13H17NO3/c1-2-12-11(14-13(15)17-12)9-16-8-10-6-4-3-5-7-10/h3-7,11-12H,2,8-9H2,1H3,(H,14,15)/t11-,12-/m0/s1
InChIKeyLCUGRETYCCVSEY-RYUDHWBXSA-N
XLogP2.09
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4S,5S)-5-(iodomethyl)-4-(phenylmethoxymethyl)-1,3-oxazolidin-2-one
CID 101424110
(4S,5S)-5-(2-hydroxyethyl)-4-(phenylmethoxymethyl)-1,3-oxazolidin-2-one
CID 11128759
(4S,5S)-4-benzyl-5-ethyl-1,3-oxazolidin-2-one
CID 14023295
(3R)-2-ethyl-3-(phenylmethoxymethyl)oxirane
CID 165104713
(4S,5S)-4-[(E)-pentadec-1-enyl]-5-(phenylmethoxymethyl)-1,3-oxazolidin-2-one
CID 10982596
3-ethyl-6-(phenylmethoxymethyl)-1,4-dioxane-2,5-dione
CID 71242586
(3R,4S)-3-methyl-4-(phenylmethoxymethyl)oxetan-2-one
CID 134988868
3-methyl-6-(phenylmethoxymethyl)-1,4-dioxane-2,5-dione
CID 72570381
(3R,4S,5S)-3,4-dimethyl-5-(phenylmethoxymethyl)oxolan-2-one
CID 166718283
(6S)-3-methyl-6-(phenylmethoxymethyl)-1,4-dioxane-2,5-dione
CID 59819056
5-benzyl-4-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 115062429
(2S,3S,4R,5R,6S)-2-ethyl-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)piperidine
CID 11215002

Frequently Asked Questions

What is the IUPAC name of (4S,5S)-5-ethyl-4-(phenylmethoxymethyl)-1,3-oxazolidin-2-one?
The IUPAC name of (4S,5S)-5-ethyl-4-(phenylmethoxymethyl)-1,3-oxazolidin-2-one (CID 11791160) is (4S,5S)-5-ethyl-4-(phenylmethoxymethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S,5S)-5-ethyl-4-(phenylmethoxymethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (4S,5S)-5-ethyl-4-(phenylmethoxymethyl)-1,3-oxazolidin-2-one is CC[C@@H]1OC(=O)N[C@H]1COCc1ccccc1.
What is the InChIKey of (4S,5S)-5-ethyl-4-(phenylmethoxymethyl)-1,3-oxazolidin-2-one?
The InChIKey is LCUGRETYCCVSEY-RYUDHWBXSA-N. The full InChI is InChI=1S/C13H17NO3/c1-2-12-11(14-13(15)17-12)9-16-8-10-6-4-3-5-7-10/h3-7,11-12H,2,8-9H2,1H3,(H,14,15)/t11-,12-/m0/s1.
What are the key properties of (4S,5S)-5-ethyl-4-(phenylmethoxymethyl)-1,3-oxazolidin-2-one?
(4S,5S)-5-ethyl-4-(phenylmethoxymethyl)-1,3-oxazolidin-2-one has a molecular weight of 235.28 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-5-ethyl-4-(phenylmethoxymethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 11791160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).