ethyl (4S)-4-(2-ethenylphenyl)-5-oxo-1,3-oxazolidine-3-carboxylate

C14H15NO4 — CID 175236898

IUPACethyl (4S)-4-(2-ethenylphenyl)-5-oxo-1,3-oxazolidine-3-carboxylate
SMILESC=Cc1ccccc1[C@H]1C(=O)OCN1C(=O)OCC
InChIInChI=1S/C14H15NO4/c1-3-10-7-5-6-8-11(10)12-13(16)19-9-15(12)14(17)18-4-2/h3,5-8,12H,1,4,9H2,2H3/t12-/m0/s1
InChIKeyHMGWBNBIGWXFPY-LBPRGKRZSA-N
MW261.28 g/mol
LogP2.34
Rot. Bonds3

About ethyl (4S)-4-(2-ethenylphenyl)-5-oxo-1,3-oxazolidine-3-carboxylate

ethyl (4S)-4-(2-ethenylphenyl)-5-oxo-1,3-oxazolidine-3-carboxylate (PubChem CID 175236898) has the molecular formula C14H15NO4 and a molecular weight of 261.28 g/mol. Its IUPAC name is ethyl (4S)-4-(2-ethenylphenyl)-5-oxo-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nameethyl (4S)-4-(2-ethenylphenyl)-5-oxo-1,3-oxazolidine-3-carboxylate
PubChem CID175236898
Molecular FormulaC14H15NO4
Molecular Weight261.28 g/mol
Exact Mass261.10
IUPAC Nameethyl (4S)-4-(2-ethenylphenyl)-5-oxo-1,3-oxazolidine-3-carboxylate
SMILESC=Cc1ccccc1[C@H]1C(=O)OCN1C(=O)OCC
InChIInChI=1S/C14H15NO4/c1-3-10-7-5-6-8-11(10)12-13(16)19-9-15(12)14(17)18-4-2/h3,5-8,12H,1,4,9H2,2H3/t12-/m0/s1
InChIKeyHMGWBNBIGWXFPY-LBPRGKRZSA-N
XLogP2.34
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl (4S)-4-(2-ethenylphenyl)-5-oxo-1,3-oxazolidine-3-carboxylate?
The IUPAC name of ethyl (4S)-4-(2-ethenylphenyl)-5-oxo-1,3-oxazolidine-3-carboxylate (CID 175236898) is ethyl (4S)-4-(2-ethenylphenyl)-5-oxo-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for ethyl (4S)-4-(2-ethenylphenyl)-5-oxo-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for ethyl (4S)-4-(2-ethenylphenyl)-5-oxo-1,3-oxazolidine-3-carboxylate is C=Cc1ccccc1[C@H]1C(=O)OCN1C(=O)OCC.
What is the InChIKey of ethyl (4S)-4-(2-ethenylphenyl)-5-oxo-1,3-oxazolidine-3-carboxylate?
The InChIKey is HMGWBNBIGWXFPY-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H15NO4/c1-3-10-7-5-6-8-11(10)12-13(16)19-9-15(12)14(17)18-4-2/h3,5-8,12H,1,4,9H2,2H3/t12-/m0/s1.
What are the key properties of ethyl (4S)-4-(2-ethenylphenyl)-5-oxo-1,3-oxazolidine-3-carboxylate?
ethyl (4S)-4-(2-ethenylphenyl)-5-oxo-1,3-oxazolidine-3-carboxylate has a molecular weight of 261.28 g/mol, XLogP of 2.34, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (4S)-4-(2-ethenylphenyl)-5-oxo-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 175236898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).