benzyl (4S)-5-oxo-4-phenyl-1,3-oxazolidine-3-carboxylate

C17H15NO4 — CID 11130258

IUPACbenzyl (4S)-5-oxo-4-phenyl-1,3-oxazolidine-3-carboxylate
SMILESO=C1OCN(C(=O)OCc2ccccc2)[C@H]1c1ccccc1
InChIInChI=1S/C17H15NO4/c19-16-15(14-9-5-2-6-10-14)18(12-22-16)17(20)21-11-13-7-3-1-4-8-13/h1-10,15H,11-12H2/t15-/m0/s1
InChIKeyUIXFFMQIQABWMW-HNNXBMFYSA-N
MW297.31 g/mol
LogP2.88
Rot. Bonds3

About benzyl (4S)-5-oxo-4-phenyl-1,3-oxazolidine-3-carboxylate

benzyl (4S)-5-oxo-4-phenyl-1,3-oxazolidine-3-carboxylate (PubChem CID 11130258) has the molecular formula C17H15NO4 and a molecular weight of 297.31 g/mol. Its IUPAC name is benzyl (4S)-5-oxo-4-phenyl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Namebenzyl (4S)-5-oxo-4-phenyl-1,3-oxazolidine-3-carboxylate
PubChem CID11130258
Molecular FormulaC17H15NO4
Molecular Weight297.31 g/mol
Exact Mass297.10
IUPAC Namebenzyl (4S)-5-oxo-4-phenyl-1,3-oxazolidine-3-carboxylate
SMILESO=C1OCN(C(=O)OCc2ccccc2)[C@H]1c1ccccc1
InChIInChI=1S/C17H15NO4/c19-16-15(14-9-5-2-6-10-14)18(12-22-16)17(20)21-11-13-7-3-1-4-8-13/h1-10,15H,11-12H2/t15-/m0/s1
InChIKeyUIXFFMQIQABWMW-HNNXBMFYSA-N
XLogP2.88
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of benzyl (4S)-5-oxo-4-phenyl-1,3-oxazolidine-3-carboxylate?
The IUPAC name of benzyl (4S)-5-oxo-4-phenyl-1,3-oxazolidine-3-carboxylate (CID 11130258) is benzyl (4S)-5-oxo-4-phenyl-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for benzyl (4S)-5-oxo-4-phenyl-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for benzyl (4S)-5-oxo-4-phenyl-1,3-oxazolidine-3-carboxylate is O=C1OCN(C(=O)OCc2ccccc2)[C@H]1c1ccccc1.
What is the InChIKey of benzyl (4S)-5-oxo-4-phenyl-1,3-oxazolidine-3-carboxylate?
The InChIKey is UIXFFMQIQABWMW-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H15NO4/c19-16-15(14-9-5-2-6-10-14)18(12-22-16)17(20)21-11-13-7-3-1-4-8-13/h1-10,15H,11-12H2/t15-/m0/s1.
What are the key properties of benzyl (4S)-5-oxo-4-phenyl-1,3-oxazolidine-3-carboxylate?
benzyl (4S)-5-oxo-4-phenyl-1,3-oxazolidine-3-carboxylate has a molecular weight of 297.31 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (4S)-5-oxo-4-phenyl-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 11130258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).