(4S)-3-benzyl-4-[(1R)-1-hydroxyprop-2-enyl]-1,3-oxazolidin-2-one

C13H15NO3 — CID 11436219

IUPAC(4S)-3-benzyl-4-[(1R)-1-hydroxyprop-2-enyl]-1,3-oxazolidin-2-one
SMILESC=C[C@@H](O)[C@@H]1COC(=O)N1Cc1ccccc1
InChIInChI=1S/C13H15NO3/c1-2-12(15)11-9-17-13(16)14(11)8-10-6-4-3-5-7-10/h2-7,11-12,15H,1,8-9H2/t11-,12+/m0/s1
InChIKeyXLDJMJIHHSQHSK-NWDGAFQWSA-N
MW233.27 g/mol
LogP1.55
Rot. Bonds4

About (4S)-3-benzyl-4-[(1R)-1-hydroxyprop-2-enyl]-1,3-oxazolidin-2-one

(4S)-3-benzyl-4-[(1R)-1-hydroxyprop-2-enyl]-1,3-oxazolidin-2-one (PubChem CID 11436219) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is (4S)-3-benzyl-4-[(1R)-1-hydroxyprop-2-enyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-benzyl-4-[(1R)-1-hydroxyprop-2-enyl]-1,3-oxazolidin-2-one
PubChem CID11436219
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Name(4S)-3-benzyl-4-[(1R)-1-hydroxyprop-2-enyl]-1,3-oxazolidin-2-one
SMILESC=C[C@@H](O)[C@@H]1COC(=O)N1Cc1ccccc1
InChIInChI=1S/C13H15NO3/c1-2-12(15)11-9-17-13(16)14(11)8-10-6-4-3-5-7-10/h2-7,11-12,15H,1,8-9H2/t11-,12+/m0/s1
InChIKeyXLDJMJIHHSQHSK-NWDGAFQWSA-N
XLogP1.55
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-Hydroxy-4,5,5-trimethyl-3-(1-phenylethyl)-1,3-oxazolidin-2-one
CID 3438279
3-Benzyl-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 2793798
Tert-butyl N-benzyl-N-(2-hydroxyethyl)carbamate
CID 10753247
(R)-3-(4-((cyclohexyl(methyl)amino)methyl)benzyl)-5-methyloxazolidin-2-one
CID 44591685
3-(2-Fluoro-3-methylbenzyl)-4-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 72887301
(5S)-5-(Hydroxymethyl)-3-[(1R)-1-phenylethyl]-2-oxazolidinone
CID 728617
3-(1-Benzyl-piperidin-4-yl)-oxazolidin-2-one
CID 13060626
3-Benzyl-1,3-oxazolidin-2-one
CID 10487528
3-Benzyl-5-methylidene-1,3-oxazolidin-2-one
CID 13925892
methyl (2S,3S)-2-(4-fluorophenyl)-3-hydroxypyrrolidine-1-carboxylate
CID 11310975
3-Benzyl-5-fluoro-1,3-oxazolidin-2-one
CID 23656676
3-[1-(4-Fluorophenyl)ethyl]-1,3-oxazolidin-2-one
CID 85872481

Frequently Asked Questions

What is the IUPAC name of (4S)-3-benzyl-4-[(1R)-1-hydroxyprop-2-enyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-benzyl-4-[(1R)-1-hydroxyprop-2-enyl]-1,3-oxazolidin-2-one (CID 11436219) is (4S)-3-benzyl-4-[(1R)-1-hydroxyprop-2-enyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-benzyl-4-[(1R)-1-hydroxyprop-2-enyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-benzyl-4-[(1R)-1-hydroxyprop-2-enyl]-1,3-oxazolidin-2-one is C=C[C@@H](O)[C@@H]1COC(=O)N1Cc1ccccc1.
What is the InChIKey of (4S)-3-benzyl-4-[(1R)-1-hydroxyprop-2-enyl]-1,3-oxazolidin-2-one?
The InChIKey is XLDJMJIHHSQHSK-NWDGAFQWSA-N. The full InChI is InChI=1S/C13H15NO3/c1-2-12(15)11-9-17-13(16)14(11)8-10-6-4-3-5-7-10/h2-7,11-12,15H,1,8-9H2/t11-,12+/m0/s1.
What are the key properties of (4S)-3-benzyl-4-[(1R)-1-hydroxyprop-2-enyl]-1,3-oxazolidin-2-one?
(4S)-3-benzyl-4-[(1R)-1-hydroxyprop-2-enyl]-1,3-oxazolidin-2-one has a molecular weight of 233.27 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-benzyl-4-[(1R)-1-hydroxyprop-2-enyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 11436219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).