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

C12H13NO3 — CID 735929

IUPAC(4S)-3-acetyl-4-benzyl-1,3-oxazolidin-2-one
SMILESCC(=O)N1C(=O)OC[C@@H]1Cc1ccccc1
InChIInChI=1S/C12H13NO3/c1-9(14)13-11(8-16-12(13)15)7-10-5-3-2-4-6-10/h2-6,11H,7-8H2,1H3/t11-/m0/s1
InChIKeyYMVGXIZVSPMNPD-NSHDSACASA-N
MW219.24 g/mol
LogP1.60
Rot. Bonds2

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

(4S)-3-acetyl-4-benzyl-1,3-oxazolidin-2-one (PubChem CID 735929) has the molecular formula C12H13NO3 and a molecular weight of 219.24 g/mol. Its IUPAC name is (4S)-3-acetyl-4-benzyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-acetyl-4-benzyl-1,3-oxazolidin-2-one
PubChem CID735929
Molecular FormulaC12H13NO3
Molecular Weight219.24 g/mol
Exact Mass219.09
IUPAC Name(4S)-3-acetyl-4-benzyl-1,3-oxazolidin-2-one
SMILESCC(=O)N1C(=O)OC[C@@H]1Cc1ccccc1
InChIInChI=1S/C12H13NO3/c1-9(14)13-11(8-16-12(13)15)7-10-5-3-2-4-6-10/h2-6,11H,7-8H2,1H3/t11-/m0/s1
InChIKeyYMVGXIZVSPMNPD-NSHDSACASA-N
XLogP1.60
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-4-benzyl-3-(2-methylprop-2-enoyl)-1,3-oxazolidin-2-one
CID 10421971
(4R)-4-benzyl-3-[(E)-1-hydroxyprop-1-enyl]-1,3-oxazolidin-2-one
CID 100990536
4-benzyl-3-(2-phenylacetyl)-1,3-oxazolidin-2-one
CID 15597771
(4S)-4-benzyl-3-(2-phenylacetyl)-1,3-oxazolidin-2-one
CID 11130206
(2R)-1-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-2-methylbutane-1,3-dione
CID 102120797
1,6-bis[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]hexane-1,6-dione
CID 92642348
4-benzyl-3-[(E)-but-2-enoyl]-1,3-oxazolidin-2-one
CID 6383358
(4S)-4-benzyl-3-but-2-ynoyl-1,3-oxazolidin-2-one
CID 10243489
(4S)-4-benzyl-3-prop-2-ynoyl-1,3-oxazolidin-2-one
CID 135041190
(4R)-4-benzyl-3-[2-(2-ethylphenyl)acetyl]-1,3-oxazolidin-2-one
CID 131876215
(4R)-4-benzyl-3-[(2S)-3-fluoro-2-methylpropanoyl]-1,3-oxazolidin-2-one
CID 129274259
4-benzyl-3-(3-hydroxy-3-phenylbutanoyl)-1,3-oxazolidin-2-one
CID 118938439

Frequently Asked Questions

What is the IUPAC name of (4S)-3-acetyl-4-benzyl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-acetyl-4-benzyl-1,3-oxazolidin-2-one (CID 735929) is (4S)-3-acetyl-4-benzyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-acetyl-4-benzyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-acetyl-4-benzyl-1,3-oxazolidin-2-one is CC(=O)N1C(=O)OC[C@@H]1Cc1ccccc1.
What is the InChIKey of (4S)-3-acetyl-4-benzyl-1,3-oxazolidin-2-one?
The InChIKey is YMVGXIZVSPMNPD-NSHDSACASA-N. The full InChI is InChI=1S/C12H13NO3/c1-9(14)13-11(8-16-12(13)15)7-10-5-3-2-4-6-10/h2-6,11H,7-8H2,1H3/t11-/m0/s1.
What are the key properties of (4S)-3-acetyl-4-benzyl-1,3-oxazolidin-2-one?
(4S)-3-acetyl-4-benzyl-1,3-oxazolidin-2-one has a molecular weight of 219.24 g/mol, XLogP of 1.60, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-acetyl-4-benzyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 735929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).