ethyl (2S,4S)-5-oxo-2,4-diphenyl-4-prop-2-enyl-1,3-oxazolidine-3-carboxylate

C21H21NO4 — CID 11530420

IUPACethyl (2S,4S)-5-oxo-2,4-diphenyl-4-prop-2-enyl-1,3-oxazolidine-3-carboxylate
SMILESC=CC[C@]1(c2ccccc2)C(=O)O[C@@H](c2ccccc2)N1C(=O)OCC
InChIInChI=1S/C21H21NO4/c1-3-15-21(17-13-9-6-10-14-17)19(23)26-18(16-11-7-5-8-12-16)22(21)20(24)25-4-2/h3,5-14,18H,1,4,15H2,2H3/t18-,21-/m0/s1
InChIKeyDHNKQYVEJXGHPP-RXVVDRJESA-N
MW351.40 g/mol
LogP4.17
Rot. Bonds5

About ethyl (2S,4S)-5-oxo-2,4-diphenyl-4-prop-2-enyl-1,3-oxazolidine-3-carboxylate

ethyl (2S,4S)-5-oxo-2,4-diphenyl-4-prop-2-enyl-1,3-oxazolidine-3-carboxylate (PubChem CID 11530420) has the molecular formula C21H21NO4 and a molecular weight of 351.40 g/mol. Its IUPAC name is ethyl (2S,4S)-5-oxo-2,4-diphenyl-4-prop-2-enyl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nameethyl (2S,4S)-5-oxo-2,4-diphenyl-4-prop-2-enyl-1,3-oxazolidine-3-carboxylate
PubChem CID11530420
Molecular FormulaC21H21NO4
Molecular Weight351.40 g/mol
Exact Mass351.15
IUPAC Nameethyl (2S,4S)-5-oxo-2,4-diphenyl-4-prop-2-enyl-1,3-oxazolidine-3-carboxylate
SMILESC=CC[C@]1(c2ccccc2)C(=O)O[C@@H](c2ccccc2)N1C(=O)OCC
InChIInChI=1S/C21H21NO4/c1-3-15-21(17-13-9-6-10-14-17)19(23)26-18(16-11-7-5-8-12-16)22(21)20(24)25-4-2/h3,5-14,18H,1,4,15H2,2H3/t18-,21-/m0/s1
InChIKeyDHNKQYVEJXGHPP-RXVVDRJESA-N
XLogP4.17
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl (2S,4S)-5-oxo-2,4-diphenyl-4-prop-2-enyl-1,3-oxazolidine-3-carboxylate?
The IUPAC name of ethyl (2S,4S)-5-oxo-2,4-diphenyl-4-prop-2-enyl-1,3-oxazolidine-3-carboxylate (CID 11530420) is ethyl (2S,4S)-5-oxo-2,4-diphenyl-4-prop-2-enyl-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for ethyl (2S,4S)-5-oxo-2,4-diphenyl-4-prop-2-enyl-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for ethyl (2S,4S)-5-oxo-2,4-diphenyl-4-prop-2-enyl-1,3-oxazolidine-3-carboxylate is C=CC[C@]1(c2ccccc2)C(=O)O[C@@H](c2ccccc2)N1C(=O)OCC.
What is the InChIKey of ethyl (2S,4S)-5-oxo-2,4-diphenyl-4-prop-2-enyl-1,3-oxazolidine-3-carboxylate?
The InChIKey is DHNKQYVEJXGHPP-RXVVDRJESA-N. The full InChI is InChI=1S/C21H21NO4/c1-3-15-21(17-13-9-6-10-14-17)19(23)26-18(16-11-7-5-8-12-16)22(21)20(24)25-4-2/h3,5-14,18H,1,4,15H2,2H3/t18-,21-/m0/s1.
What are the key properties of ethyl (2S,4S)-5-oxo-2,4-diphenyl-4-prop-2-enyl-1,3-oxazolidine-3-carboxylate?
ethyl (2S,4S)-5-oxo-2,4-diphenyl-4-prop-2-enyl-1,3-oxazolidine-3-carboxylate has a molecular weight of 351.40 g/mol, XLogP of 4.17, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S,4S)-5-oxo-2,4-diphenyl-4-prop-2-enyl-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 11530420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).