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

C12H15NO2 — CID 10921652

IUPAC(4S)-4-benzyl-5,5-dimethyl-1,3-oxazolidin-2-one
SMILESCC1(C)OC(=O)N[C@H]1Cc1ccccc1
InChIInChI=1S/C12H15NO2/c1-12(2)10(13-11(14)15-12)8-9-6-4-3-5-7-9/h3-7,10H,8H2,1-2H3,(H,13,14)/t10-/m0/s1
InChIKeyAEEGFEJKONZGOH-JTQLQIEISA-N
MW205.26 g/mol
LogP2.12
Rot. Bonds2

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

(4S)-4-benzyl-5,5-dimethyl-1,3-oxazolidin-2-one (PubChem CID 10921652) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is (4S)-4-benzyl-5,5-dimethyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-benzyl-5,5-dimethyl-1,3-oxazolidin-2-one
PubChem CID10921652
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name(4S)-4-benzyl-5,5-dimethyl-1,3-oxazolidin-2-one
SMILESCC1(C)OC(=O)N[C@H]1Cc1ccccc1
InChIInChI=1S/C12H15NO2/c1-12(2)10(13-11(14)15-12)8-9-6-4-3-5-7-9/h3-7,10H,8H2,1-2H3,(H,13,14)/t10-/m0/s1
InChIKeyAEEGFEJKONZGOH-JTQLQIEISA-N
XLogP2.12
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-benzyl-5,5-dimethyl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-benzyl-5,5-dimethyl-1,3-oxazolidin-2-one (CID 10921652) is (4S)-4-benzyl-5,5-dimethyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-benzyl-5,5-dimethyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-benzyl-5,5-dimethyl-1,3-oxazolidin-2-one is CC1(C)OC(=O)N[C@H]1Cc1ccccc1.
What is the InChIKey of (4S)-4-benzyl-5,5-dimethyl-1,3-oxazolidin-2-one?
The InChIKey is AEEGFEJKONZGOH-JTQLQIEISA-N. The full InChI is InChI=1S/C12H15NO2/c1-12(2)10(13-11(14)15-12)8-9-6-4-3-5-7-9/h3-7,10H,8H2,1-2H3,(H,13,14)/t10-/m0/s1.
What are the key properties of (4S)-4-benzyl-5,5-dimethyl-1,3-oxazolidin-2-one?
(4S)-4-benzyl-5,5-dimethyl-1,3-oxazolidin-2-one has a molecular weight of 205.26 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-benzyl-5,5-dimethyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 10921652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).