(4S)-4-(2-hydroxyethyl)-5-[(E)-2-phenylethenyl]-1,3-oxazolidin-2-one

C13H15NO3 — CID 11746544

IUPAC(4S)-4-(2-hydroxyethyl)-5-[(E)-2-phenylethenyl]-1,3-oxazolidin-2-one
SMILESO=C1N[C@@H](CCO)C(/C=C/c2ccccc2)O1
InChIInChI=1S/C13H15NO3/c15-9-8-11-12(17-13(16)14-11)7-6-10-4-2-1-3-5-10/h1-7,11-12,15H,8-9H2,(H,14,16)/b7-6+/t11-,12?/m0/s1
InChIKeyOHZKPHAQAXXZPT-AFZBGIBSSA-N
MW233.27 g/mol
LogP1.56
Rot. Bonds4

About (4S)-4-(2-hydroxyethyl)-5-[(E)-2-phenylethenyl]-1,3-oxazolidin-2-one

(4S)-4-(2-hydroxyethyl)-5-[(E)-2-phenylethenyl]-1,3-oxazolidin-2-one (PubChem CID 11746544) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is (4S)-4-(2-hydroxyethyl)-5-[(E)-2-phenylethenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-(2-hydroxyethyl)-5-[(E)-2-phenylethenyl]-1,3-oxazolidin-2-one
PubChem CID11746544
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Name(4S)-4-(2-hydroxyethyl)-5-[(E)-2-phenylethenyl]-1,3-oxazolidin-2-one
SMILESO=C1N[C@@H](CCO)C(/C=C/c2ccccc2)O1
InChIInChI=1S/C13H15NO3/c15-9-8-11-12(17-13(16)14-11)7-6-10-4-2-1-3-5-10/h1-7,11-12,15H,8-9H2,(H,14,16)/b7-6+/t11-,12?/m0/s1
InChIKeyOHZKPHAQAXXZPT-AFZBGIBSSA-N
XLogP1.56
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-(2-hydroxyethyl)-5-[(E)-2-phenylethenyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-(2-hydroxyethyl)-5-[(E)-2-phenylethenyl]-1,3-oxazolidin-2-one (CID 11746544) is (4S)-4-(2-hydroxyethyl)-5-[(E)-2-phenylethenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-(2-hydroxyethyl)-5-[(E)-2-phenylethenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-(2-hydroxyethyl)-5-[(E)-2-phenylethenyl]-1,3-oxazolidin-2-one is O=C1N[C@@H](CCO)C(/C=C/c2ccccc2)O1.
What is the InChIKey of (4S)-4-(2-hydroxyethyl)-5-[(E)-2-phenylethenyl]-1,3-oxazolidin-2-one?
The InChIKey is OHZKPHAQAXXZPT-AFZBGIBSSA-N. The full InChI is InChI=1S/C13H15NO3/c15-9-8-11-12(17-13(16)14-11)7-6-10-4-2-1-3-5-10/h1-7,11-12,15H,8-9H2,(H,14,16)/b7-6+/t11-,12?/m0/s1.
What are the key properties of (4S)-4-(2-hydroxyethyl)-5-[(E)-2-phenylethenyl]-1,3-oxazolidin-2-one?
(4S)-4-(2-hydroxyethyl)-5-[(E)-2-phenylethenyl]-1,3-oxazolidin-2-one has a molecular weight of 233.27 g/mol, XLogP of 1.56, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(2-hydroxyethyl)-5-[(E)-2-phenylethenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 11746544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).