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

C13H17NO4 — CID 11128759

IUPAC(4S,5S)-5-(2-hydroxyethyl)-4-(phenylmethoxymethyl)-1,3-oxazolidin-2-one
SMILESO=C1N[C@@H](COCc2ccccc2)[C@H](CCO)O1
InChIInChI=1S/C13H17NO4/c15-7-6-12-11(14-13(16)18-12)9-17-8-10-4-2-1-3-5-10/h1-5,11-12,15H,6-9H2,(H,14,16)/t11-,12-/m0/s1
InChIKeyYXOFTHNAHIGSHR-RYUDHWBXSA-N
MW251.28 g/mol
LogP1.06
Rot. Bonds6

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

(4S,5S)-5-(2-hydroxyethyl)-4-(phenylmethoxymethyl)-1,3-oxazolidin-2-one (PubChem CID 11128759) has the molecular formula C13H17NO4 and a molecular weight of 251.28 g/mol. Its IUPAC name is (4S,5S)-5-(2-hydroxyethyl)-4-(phenylmethoxymethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S,5S)-5-(2-hydroxyethyl)-4-(phenylmethoxymethyl)-1,3-oxazolidin-2-one
PubChem CID11128759
Molecular FormulaC13H17NO4
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Name(4S,5S)-5-(2-hydroxyethyl)-4-(phenylmethoxymethyl)-1,3-oxazolidin-2-one
SMILESO=C1N[C@@H](COCc2ccccc2)[C@H](CCO)O1
InChIInChI=1S/C13H17NO4/c15-7-6-12-11(14-13(16)18-12)9-17-8-10-4-2-1-3-5-10/h1-5,11-12,15H,6-9H2,(H,14,16)/t11-,12-/m0/s1
InChIKeyYXOFTHNAHIGSHR-RYUDHWBXSA-N
XLogP1.06
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4S,5S)-5-(iodomethyl)-4-(phenylmethoxymethyl)-1,3-oxazolidin-2-one
CID 101424110
(4S,5S)-5-ethyl-4-(phenylmethoxymethyl)-1,3-oxazolidin-2-one
CID 11791160
5-benzyl-4-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 115062429
(4S,5S)-4-[(E)-pentadec-1-enyl]-5-(phenylmethoxymethyl)-1,3-oxazolidin-2-one
CID 10982596
(4R,5S)-5-(hydroxymethyl)-4-(4-phenylmethoxyphenyl)-1,3-oxazolidin-2-one
CID 24993379
(3R,4S)-3-methyl-4-(phenylmethoxymethyl)oxetan-2-one
CID 134988868
(4S,5S)-4-benzyl-5-ethyl-1,3-oxazolidin-2-one
CID 14023295
3-(hydroxymethyl)-3,4-dihydro-1,2,4-triazol-5-one;3-(phenylmethoxymethyl)-3,4-dihydro-1,2,4-triazol-5-one
CID 161227641
(6S)-3-hydroxy-6-(phenylmethoxymethyl)oxan-2-one
CID 67831333
2-[(3aR,5R,6R,6aR)-2,2-dimethyl-6-(phenylmethoxymethyl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]ethanol
CID 101076928
(4S,5S)-4-benzyl-5-[(4S,5S)-4-benzyl-2-oxo-1,3-oxazolidin-5-yl]-1,3-oxazolidin-2-one
CID 15012939
(4S,5R)-4-(hydroxymethyl)-5-phenyl-1,3-oxazolidin-2-one
CID 101245141

Frequently Asked Questions

What is the IUPAC name of (4S,5S)-5-(2-hydroxyethyl)-4-(phenylmethoxymethyl)-1,3-oxazolidin-2-one?
The IUPAC name of (4S,5S)-5-(2-hydroxyethyl)-4-(phenylmethoxymethyl)-1,3-oxazolidin-2-one (CID 11128759) is (4S,5S)-5-(2-hydroxyethyl)-4-(phenylmethoxymethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S,5S)-5-(2-hydroxyethyl)-4-(phenylmethoxymethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (4S,5S)-5-(2-hydroxyethyl)-4-(phenylmethoxymethyl)-1,3-oxazolidin-2-one is O=C1N[C@@H](COCc2ccccc2)[C@H](CCO)O1.
What is the InChIKey of (4S,5S)-5-(2-hydroxyethyl)-4-(phenylmethoxymethyl)-1,3-oxazolidin-2-one?
The InChIKey is YXOFTHNAHIGSHR-RYUDHWBXSA-N. The full InChI is InChI=1S/C13H17NO4/c15-7-6-12-11(14-13(16)18-12)9-17-8-10-4-2-1-3-5-10/h1-5,11-12,15H,6-9H2,(H,14,16)/t11-,12-/m0/s1.
What are the key properties of (4S,5S)-5-(2-hydroxyethyl)-4-(phenylmethoxymethyl)-1,3-oxazolidin-2-one?
(4S,5S)-5-(2-hydroxyethyl)-4-(phenylmethoxymethyl)-1,3-oxazolidin-2-one has a molecular weight of 251.28 g/mol, XLogP of 1.06, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-5-(2-hydroxyethyl)-4-(phenylmethoxymethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 11128759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).