(4R,5S)-4-benzyl-5-(hydroxymethyl)-1,3-oxazolidin-2-one

C11H13NO3 — CID 10727021

IUPAC(4R,5S)-4-benzyl-5-(hydroxymethyl)-1,3-oxazolidin-2-one
SMILESO=C1N[C@H](Cc2ccccc2)[C@@H](CO)O1
InChIInChI=1S/C11H13NO3/c13-7-10-9(12-11(14)15-10)6-8-4-2-1-3-5-8/h1-5,9-10,13H,6-7H2,(H,12,14)/t9-,10-/m1/s1
InChIKeyFXOAAIKBXQDDOK-NXEZZACHSA-N
MW207.23 g/mol
LogP0.70
Rot. Bonds3

About (4R,5S)-4-benzyl-5-(hydroxymethyl)-1,3-oxazolidin-2-one

(4R,5S)-4-benzyl-5-(hydroxymethyl)-1,3-oxazolidin-2-one (PubChem CID 10727021) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is (4R,5S)-4-benzyl-5-(hydroxymethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R,5S)-4-benzyl-5-(hydroxymethyl)-1,3-oxazolidin-2-one
PubChem CID10727021
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name(4R,5S)-4-benzyl-5-(hydroxymethyl)-1,3-oxazolidin-2-one
SMILESO=C1N[C@H](Cc2ccccc2)[C@@H](CO)O1
InChIInChI=1S/C11H13NO3/c13-7-10-9(12-11(14)15-10)6-8-4-2-1-3-5-8/h1-5,9-10,13H,6-7H2,(H,12,14)/t9-,10-/m1/s1
InChIKeyFXOAAIKBXQDDOK-NXEZZACHSA-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

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Frequently Asked Questions

What is the IUPAC name of (4R,5S)-4-benzyl-5-(hydroxymethyl)-1,3-oxazolidin-2-one?
The IUPAC name of (4R,5S)-4-benzyl-5-(hydroxymethyl)-1,3-oxazolidin-2-one (CID 10727021) is (4R,5S)-4-benzyl-5-(hydroxymethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R,5S)-4-benzyl-5-(hydroxymethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (4R,5S)-4-benzyl-5-(hydroxymethyl)-1,3-oxazolidin-2-one is O=C1N[C@H](Cc2ccccc2)[C@@H](CO)O1.
What is the InChIKey of (4R,5S)-4-benzyl-5-(hydroxymethyl)-1,3-oxazolidin-2-one?
The InChIKey is FXOAAIKBXQDDOK-NXEZZACHSA-N. The full InChI is InChI=1S/C11H13NO3/c13-7-10-9(12-11(14)15-10)6-8-4-2-1-3-5-8/h1-5,9-10,13H,6-7H2,(H,12,14)/t9-,10-/m1/s1.
What are the key properties of (4R,5S)-4-benzyl-5-(hydroxymethyl)-1,3-oxazolidin-2-one?
(4R,5S)-4-benzyl-5-(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 (4R,5S)-4-benzyl-5-(hydroxymethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 10727021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).