ethyl 2-[(4S,5S)-2-oxo-5-phenyl-3-prop-2-enyl-1,3-oxazolidin-4-yl]acetate

C16H19NO4 — CID 102443648

IUPACethyl 2-[(4S,5S)-2-oxo-5-phenyl-3-prop-2-enyl-1,3-oxazolidin-4-yl]acetate
SMILESC=CCN1C(=O)O[C@@H](c2ccccc2)[C@@H]1CC(=O)OCC
InChIInChI=1S/C16H19NO4/c1-3-10-17-13(11-14(18)20-4-2)15(21-16(17)19)12-8-6-5-7-9-12/h3,5-9,13,15H,1,4,10-11H2,2H3/t13-,15-/m0/s1
InChIKeyGOOYEXHEALPFIM-ZFWWWQNUSA-N
MW289.33 g/mol
LogP2.69
Rot. Bonds6

About ethyl 2-[(4S,5S)-2-oxo-5-phenyl-3-prop-2-enyl-1,3-oxazolidin-4-yl]acetate

ethyl 2-[(4S,5S)-2-oxo-5-phenyl-3-prop-2-enyl-1,3-oxazolidin-4-yl]acetate (PubChem CID 102443648) has the molecular formula C16H19NO4 and a molecular weight of 289.33 g/mol. Its IUPAC name is ethyl 2-[(4S,5S)-2-oxo-5-phenyl-3-prop-2-enyl-1,3-oxazolidin-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[(4S,5S)-2-oxo-5-phenyl-3-prop-2-enyl-1,3-oxazolidin-4-yl]acetate
PubChem CID102443648
Molecular FormulaC16H19NO4
Molecular Weight289.33 g/mol
Exact Mass289.13
IUPAC Nameethyl 2-[(4S,5S)-2-oxo-5-phenyl-3-prop-2-enyl-1,3-oxazolidin-4-yl]acetate
SMILESC=CCN1C(=O)O[C@@H](c2ccccc2)[C@@H]1CC(=O)OCC
InChIInChI=1S/C16H19NO4/c1-3-10-17-13(11-14(18)20-4-2)15(21-16(17)19)12-8-6-5-7-9-12/h3,5-9,13,15H,1,4,10-11H2,2H3/t13-,15-/m0/s1
InChIKeyGOOYEXHEALPFIM-ZFWWWQNUSA-N
XLogP2.69
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3,4-Dimethyl-5-Phenyl-1,3-Oxazolidin-2-One
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(3S,6aS)-3-Allyl-2-oxo-hexahydro-furo[3,2-b]pyrrole-4-carboxylic acid benzyl ester
CID 44351104
benzyl (2R,3S)-2-[(2R)-1-ethoxy-1-oxopent-4-en-2-yl]-3-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino]pyrrolidine-1-carboxylate
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Ephedroxane
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Z-O-tert-butyl-L-trans-4-hydroxyproline
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Boc-Hyp(Bzl)-OH
CID 11860409
(4S,5S)-3,4-Dimethyl-5-phenyl-1,3-oxazolidin-2-one
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2-(Dimethylamino)-1-phenylethyl heptanoate
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N-Cbz-cis-4-Hydroxy-L-proline methyl ester
CID 688413
1-(Phenylmethyl) (2R,4R)-4-methoxy-1,2-pyrrolidinedicarboxylate
CID 11687747

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4S,5S)-2-oxo-5-phenyl-3-prop-2-enyl-1,3-oxazolidin-4-yl]acetate?
The IUPAC name of ethyl 2-[(4S,5S)-2-oxo-5-phenyl-3-prop-2-enyl-1,3-oxazolidin-4-yl]acetate (CID 102443648) is ethyl 2-[(4S,5S)-2-oxo-5-phenyl-3-prop-2-enyl-1,3-oxazolidin-4-yl]acetate.
What is the SMILES notation for ethyl 2-[(4S,5S)-2-oxo-5-phenyl-3-prop-2-enyl-1,3-oxazolidin-4-yl]acetate?
The canonical SMILES for ethyl 2-[(4S,5S)-2-oxo-5-phenyl-3-prop-2-enyl-1,3-oxazolidin-4-yl]acetate is C=CCN1C(=O)O[C@@H](c2ccccc2)[C@@H]1CC(=O)OCC.
What is the InChIKey of ethyl 2-[(4S,5S)-2-oxo-5-phenyl-3-prop-2-enyl-1,3-oxazolidin-4-yl]acetate?
The InChIKey is GOOYEXHEALPFIM-ZFWWWQNUSA-N. The full InChI is InChI=1S/C16H19NO4/c1-3-10-17-13(11-14(18)20-4-2)15(21-16(17)19)12-8-6-5-7-9-12/h3,5-9,13,15H,1,4,10-11H2,2H3/t13-,15-/m0/s1.
What are the key properties of ethyl 2-[(4S,5S)-2-oxo-5-phenyl-3-prop-2-enyl-1,3-oxazolidin-4-yl]acetate?
ethyl 2-[(4S,5S)-2-oxo-5-phenyl-3-prop-2-enyl-1,3-oxazolidin-4-yl]acetate has a molecular weight of 289.33 g/mol, XLogP of 2.69, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4S,5S)-2-oxo-5-phenyl-3-prop-2-enyl-1,3-oxazolidin-4-yl]acetate is sourced from PubChem (CID 102443648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).