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

C12H15NO2 — CID 11390109

IUPAC(3R,4R)-2-benzyl-3,4-dimethyl-1,2-oxazolidin-5-one
SMILESC[C@@H]1[C@@H](C)C(=O)ON1Cc1ccccc1
InChIInChI=1S/C12H15NO2/c1-9-10(2)13(15-12(9)14)8-11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3/t9-,10-/m1/s1
InChIKeyPBGOPDVEJUQQKF-NXEZZACHSA-N
MW205.26 g/mol
LogP1.99
Rot. Bonds2

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

(3R,4R)-2-benzyl-3,4-dimethyl-1,2-oxazolidin-5-one (PubChem CID 11390109) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is (3R,4R)-2-benzyl-3,4-dimethyl-1,2-oxazolidin-5-one.

Molecular Properties

Compound Name(3R,4R)-2-benzyl-3,4-dimethyl-1,2-oxazolidin-5-one
PubChem CID11390109
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name(3R,4R)-2-benzyl-3,4-dimethyl-1,2-oxazolidin-5-one
SMILESC[C@@H]1[C@@H](C)C(=O)ON1Cc1ccccc1
InChIInChI=1S/C12H15NO2/c1-9-10(2)13(15-12(9)14)8-11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3/t9-,10-/m1/s1
InChIKeyPBGOPDVEJUQQKF-NXEZZACHSA-N
XLogP1.99
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3R,4R)-2-benzyl-3,4-dimethyl-1,2-oxazolidin-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-2-benzyl-3,4-dimethyl-1,2-oxazolidin-5-one?
The IUPAC name of (3R,4R)-2-benzyl-3,4-dimethyl-1,2-oxazolidin-5-one (CID 11390109) is (3R,4R)-2-benzyl-3,4-dimethyl-1,2-oxazolidin-5-one.
What is the SMILES notation for (3R,4R)-2-benzyl-3,4-dimethyl-1,2-oxazolidin-5-one?
The canonical SMILES for (3R,4R)-2-benzyl-3,4-dimethyl-1,2-oxazolidin-5-one is C[C@@H]1[C@@H](C)C(=O)ON1Cc1ccccc1.
What is the InChIKey of (3R,4R)-2-benzyl-3,4-dimethyl-1,2-oxazolidin-5-one?
The InChIKey is PBGOPDVEJUQQKF-NXEZZACHSA-N. The full InChI is InChI=1S/C12H15NO2/c1-9-10(2)13(15-12(9)14)8-11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3/t9-,10-/m1/s1.
What are the key properties of (3R,4R)-2-benzyl-3,4-dimethyl-1,2-oxazolidin-5-one?
(3R,4R)-2-benzyl-3,4-dimethyl-1,2-oxazolidin-5-one has a molecular weight of 205.26 g/mol, XLogP of 1.99, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-2-benzyl-3,4-dimethyl-1,2-oxazolidin-5-one is sourced from PubChem (CID 11390109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).