(4-benzyl-2-oxo-1,3-oxazolidin-3-yl) propanoate

C13H15NO4 — CID 175019030

IUPAC(4-benzyl-2-oxo-1,3-oxazolidin-3-yl) propanoate
SMILESCCC(=O)ON1C(=O)OCC1Cc1ccccc1
InChIInChI=1S/C13H15NO4/c1-2-12(15)18-14-11(9-17-13(14)16)8-10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3
InChIKeyZPBOEDTXWLXMTH-UHFFFAOYSA-N
MW249.27 g/mol
LogP1.92
Rot. Bonds4

About (4-benzyl-2-oxo-1,3-oxazolidin-3-yl) propanoate

(4-benzyl-2-oxo-1,3-oxazolidin-3-yl) propanoate (PubChem CID 175019030) has the molecular formula C13H15NO4 and a molecular weight of 249.27 g/mol. Its IUPAC name is (4-benzyl-2-oxo-1,3-oxazolidin-3-yl) propanoate.

Molecular Properties

Compound Name(4-benzyl-2-oxo-1,3-oxazolidin-3-yl) propanoate
PubChem CID175019030
Molecular FormulaC13H15NO4
Molecular Weight249.27 g/mol
Exact Mass249.10
IUPAC Name(4-benzyl-2-oxo-1,3-oxazolidin-3-yl) propanoate
SMILESCCC(=O)ON1C(=O)OCC1Cc1ccccc1
InChIInChI=1S/C13H15NO4/c1-2-12(15)18-14-11(9-17-13(14)16)8-10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3
InChIKeyZPBOEDTXWLXMTH-UHFFFAOYSA-N
XLogP1.92
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4S)-3-acetyl-4-benzyl-1,3-oxazolidin-2-one
CID 735929
(4R)-4-benzyl-3-methyl-1,3-oxazolidin-2-one
CID 14836208
1-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]hexane-1,4-dione
CID 176582828
2-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)acetic acid
CID 82372064
(4S)-4-benzyl-3-propyl-1,3-oxazolidin-2-one
CID 155294169
(4R)-4-benzyl-3-[2-(2-ethylphenyl)acetyl]-1,3-oxazolidin-2-one
CID 131876215
[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl] (2R)-3,3,3-trifluoro-2-[(S)-hydroxy-(4-methoxyphenyl)methyl]propanoate
CID 102175288
(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
(4S)-4-benzyl-3-hexadecyl-1,3-oxazolidin-2-one
CID 150010367
(4S)-4-benzyl-3-(2-methylprop-2-enoyl)-1,3-oxazolidin-2-one
CID 10421971

Frequently Asked Questions

What is the IUPAC name of (4-benzyl-2-oxo-1,3-oxazolidin-3-yl) propanoate?
The IUPAC name of (4-benzyl-2-oxo-1,3-oxazolidin-3-yl) propanoate (CID 175019030) is (4-benzyl-2-oxo-1,3-oxazolidin-3-yl) propanoate.
What is the SMILES notation for (4-benzyl-2-oxo-1,3-oxazolidin-3-yl) propanoate?
The canonical SMILES for (4-benzyl-2-oxo-1,3-oxazolidin-3-yl) propanoate is CCC(=O)ON1C(=O)OCC1Cc1ccccc1.
What is the InChIKey of (4-benzyl-2-oxo-1,3-oxazolidin-3-yl) propanoate?
The InChIKey is ZPBOEDTXWLXMTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO4/c1-2-12(15)18-14-11(9-17-13(14)16)8-10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3.
What are the key properties of (4-benzyl-2-oxo-1,3-oxazolidin-3-yl) propanoate?
(4-benzyl-2-oxo-1,3-oxazolidin-3-yl) propanoate has a molecular weight of 249.27 g/mol, XLogP of 1.92, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzyl-2-oxo-1,3-oxazolidin-3-yl) propanoate is sourced from PubChem (CID 175019030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).