(3R)-2-benzyl-3-methyl-1,2-oxazolidin-5-one

C11H13NO2 — CID 13358936

IUPAC(3R)-2-benzyl-3-methyl-1,2-oxazolidin-5-one
SMILESC[C@@H]1CC(=O)ON1Cc1ccccc1
InChIInChI=1S/C11H13NO2/c1-9-7-11(13)14-12(9)8-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3/t9-/m1/s1
InChIKeyQNEJEOULQGPSBD-SECBINFHSA-N
MW191.23 g/mol
LogP1.74
Rot. Bonds2

About (3R)-2-benzyl-3-methyl-1,2-oxazolidin-5-one

(3R)-2-benzyl-3-methyl-1,2-oxazolidin-5-one (PubChem CID 13358936) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is (3R)-2-benzyl-3-methyl-1,2-oxazolidin-5-one.

Molecular Properties

Compound Name(3R)-2-benzyl-3-methyl-1,2-oxazolidin-5-one
PubChem CID13358936
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name(3R)-2-benzyl-3-methyl-1,2-oxazolidin-5-one
SMILESC[C@@H]1CC(=O)ON1Cc1ccccc1
InChIInChI=1S/C11H13NO2/c1-9-7-11(13)14-12(9)8-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3/t9-/m1/s1
InChIKeyQNEJEOULQGPSBD-SECBINFHSA-N
XLogP1.74
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-2-benzyl-3-methyl-1,2-oxazolidin-5-one?
The IUPAC name of (3R)-2-benzyl-3-methyl-1,2-oxazolidin-5-one (CID 13358936) is (3R)-2-benzyl-3-methyl-1,2-oxazolidin-5-one.
What is the SMILES notation for (3R)-2-benzyl-3-methyl-1,2-oxazolidin-5-one?
The canonical SMILES for (3R)-2-benzyl-3-methyl-1,2-oxazolidin-5-one is C[C@@H]1CC(=O)ON1Cc1ccccc1.
What is the InChIKey of (3R)-2-benzyl-3-methyl-1,2-oxazolidin-5-one?
The InChIKey is QNEJEOULQGPSBD-SECBINFHSA-N. The full InChI is InChI=1S/C11H13NO2/c1-9-7-11(13)14-12(9)8-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3/t9-/m1/s1.
What are the key properties of (3R)-2-benzyl-3-methyl-1,2-oxazolidin-5-one?
(3R)-2-benzyl-3-methyl-1,2-oxazolidin-5-one has a molecular weight of 191.23 g/mol, XLogP of 1.74, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2-benzyl-3-methyl-1,2-oxazolidin-5-one is sourced from PubChem (CID 13358936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).