benzyl 2-[(4S)-2-oxo-1,3-oxazolidin-4-yl]acetate

C12H13NO4 — CID 11241814

IUPACbenzyl 2-[(4S)-2-oxo-1,3-oxazolidin-4-yl]acetate
SMILESO=C(C[C@H]1COC(=O)N1)OCc1ccccc1
InChIInChI=1S/C12H13NO4/c14-11(6-10-8-17-12(15)13-10)16-7-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,13,15)/t10-/m0/s1
InChIKeyVFXVGUKENCPCBN-JTQLQIEISA-N
MW235.24 g/mol
LogP1.23
Rot. Bonds4

About benzyl 2-[(4S)-2-oxo-1,3-oxazolidin-4-yl]acetate

benzyl 2-[(4S)-2-oxo-1,3-oxazolidin-4-yl]acetate (PubChem CID 11241814) has the molecular formula C12H13NO4 and a molecular weight of 235.24 g/mol. Its IUPAC name is benzyl 2-[(4S)-2-oxo-1,3-oxazolidin-4-yl]acetate.

Molecular Properties

Compound Namebenzyl 2-[(4S)-2-oxo-1,3-oxazolidin-4-yl]acetate
PubChem CID11241814
Molecular FormulaC12H13NO4
Molecular Weight235.24 g/mol
Exact Mass235.08
IUPAC Namebenzyl 2-[(4S)-2-oxo-1,3-oxazolidin-4-yl]acetate
SMILESO=C(C[C@H]1COC(=O)N1)OCc1ccccc1
InChIInChI=1S/C12H13NO4/c14-11(6-10-8-17-12(15)13-10)16-7-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,13,15)/t10-/m0/s1
InChIKeyVFXVGUKENCPCBN-JTQLQIEISA-N
XLogP1.23
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of benzyl 2-[(4S)-2-oxo-1,3-oxazolidin-4-yl]acetate?
The IUPAC name of benzyl 2-[(4S)-2-oxo-1,3-oxazolidin-4-yl]acetate (CID 11241814) is benzyl 2-[(4S)-2-oxo-1,3-oxazolidin-4-yl]acetate.
What is the SMILES notation for benzyl 2-[(4S)-2-oxo-1,3-oxazolidin-4-yl]acetate?
The canonical SMILES for benzyl 2-[(4S)-2-oxo-1,3-oxazolidin-4-yl]acetate is O=C(C[C@H]1COC(=O)N1)OCc1ccccc1.
What is the InChIKey of benzyl 2-[(4S)-2-oxo-1,3-oxazolidin-4-yl]acetate?
The InChIKey is VFXVGUKENCPCBN-JTQLQIEISA-N. The full InChI is InChI=1S/C12H13NO4/c14-11(6-10-8-17-12(15)13-10)16-7-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,13,15)/t10-/m0/s1.
What are the key properties of benzyl 2-[(4S)-2-oxo-1,3-oxazolidin-4-yl]acetate?
benzyl 2-[(4S)-2-oxo-1,3-oxazolidin-4-yl]acetate has a molecular weight of 235.24 g/mol, XLogP of 1.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-[(4S)-2-oxo-1,3-oxazolidin-4-yl]acetate is sourced from PubChem (CID 11241814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).