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

C11H13NO3 — CID 102580214

IUPAC(4S)-4-benzyl-4-(hydroxymethyl)-1,3-oxazolidin-2-one
SMILESO=C1N[C@](CO)(Cc2ccccc2)CO1
InChIInChI=1S/C11H13NO3/c13-7-11(8-15-10(14)12-11)6-9-4-2-1-3-5-9/h1-5,13H,6-8H2,(H,12,14)/t11-/m0/s1
InChIKeyFZRGBQHHOFSILY-NSHDSACASA-N
MW207.23 g/mol
LogP0.70
Rot. Bonds3

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

(4S)-4-benzyl-4-(hydroxymethyl)-1,3-oxazolidin-2-one (PubChem CID 102580214) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is (4S)-4-benzyl-4-(hydroxymethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-benzyl-4-(hydroxymethyl)-1,3-oxazolidin-2-one
PubChem CID102580214
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name(4S)-4-benzyl-4-(hydroxymethyl)-1,3-oxazolidin-2-one
SMILESO=C1N[C@](CO)(Cc2ccccc2)CO1
InChIInChI=1S/C11H13NO3/c13-7-11(8-15-10(14)12-11)6-9-4-2-1-3-5-9/h1-5,13H,6-8H2,(H,12,14)/t11-/m0/s1
InChIKeyFZRGBQHHOFSILY-NSHDSACASA-N
XLogP0.70
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (4S)-4-benzyl-4-(hydroxymethyl)-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

4,4-dibenzyl-1,3-oxazolidine-2-thione
CID 25214828
[(2R)-2-benzyloxiran-2-yl]methanol
CID 15072879
[(2S,4R)-4-benzyl-4-(hydroxymethyl)azetidin-2-yl]methanol
CID 126483740
4-ethyl-4-[2-(4-phenylmethoxyphenyl)ethyl]-1,3-oxazolidin-2-one
CID 22618845
benzyl (4R)-2-oxo-4-propan-2-yl-1,3-oxazolidine-4-carboxylate
CID 11529058
(4R)-4-(bromomethyl)-4-phenyl-1,3-oxazolidin-2-one
CID 132524616
4,4-dibenzyl-1,3-oxazolidine-2,5-dione
CID 54213931
(2S)-2-benzyl-4-oxoazetidine-2-carboxylic acid
CID 10536224
(5S)-3,3-dibenzyl-5-(hydroxymethyl)pyrrolidin-2-one
CID 100949010
3,9,15-tribenzyl-3,9,15-trimethyl-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone
CID 102513519
2-benzyl-2-(2-benzyloxiran-2-yl)oxirane
CID 174859791
2,2-dibenzyl-3H-1,3-benzoxazin-4-one
CID 10019468

Frequently Asked Questions

What is the IUPAC name of (4S)-4-benzyl-4-(hydroxymethyl)-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-benzyl-4-(hydroxymethyl)-1,3-oxazolidin-2-one (CID 102580214) is (4S)-4-benzyl-4-(hydroxymethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-benzyl-4-(hydroxymethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-benzyl-4-(hydroxymethyl)-1,3-oxazolidin-2-one is O=C1N[C@](CO)(Cc2ccccc2)CO1.
What is the InChIKey of (4S)-4-benzyl-4-(hydroxymethyl)-1,3-oxazolidin-2-one?
The InChIKey is FZRGBQHHOFSILY-NSHDSACASA-N. The full InChI is InChI=1S/C11H13NO3/c13-7-11(8-15-10(14)12-11)6-9-4-2-1-3-5-9/h1-5,13H,6-8H2,(H,12,14)/t11-/m0/s1.
What are the key properties of (4S)-4-benzyl-4-(hydroxymethyl)-1,3-oxazolidin-2-one?
(4S)-4-benzyl-4-(hydroxymethyl)-1,3-oxazolidin-2-one has a molecular weight of 207.23 g/mol, XLogP of 0.70, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-benzyl-4-(hydroxymethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 102580214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).