[(4S)-2-oxo-4-prop-2-enyl-1,3-oxazolidin-4-yl]methyl benzoate

C14H15NO4 — CID 72708149

IUPAC[(4S)-2-oxo-4-prop-2-enyl-1,3-oxazolidin-4-yl]methyl benzoate
SMILESC=CC[C@]1(COC(=O)c2ccccc2)COC(=O)N1
InChIInChI=1S/C14H15NO4/c1-2-8-14(10-19-13(17)15-14)9-18-12(16)11-6-4-3-5-7-11/h2-7H,1,8-10H2,(H,15,17)/t14-/m0/s1
InChIKeyVXTIPLLBLPQGLI-AWEZNQCLSA-N
MW261.28 g/mol
LogP1.90
Rot. Bonds5

About [(4S)-2-oxo-4-prop-2-enyl-1,3-oxazolidin-4-yl]methyl benzoate

[(4S)-2-oxo-4-prop-2-enyl-1,3-oxazolidin-4-yl]methyl benzoate (PubChem CID 72708149) has the molecular formula C14H15NO4 and a molecular weight of 261.28 g/mol. Its IUPAC name is [(4S)-2-oxo-4-prop-2-enyl-1,3-oxazolidin-4-yl]methyl benzoate.

Molecular Properties

Compound Name[(4S)-2-oxo-4-prop-2-enyl-1,3-oxazolidin-4-yl]methyl benzoate
PubChem CID72708149
Molecular FormulaC14H15NO4
Molecular Weight261.28 g/mol
Exact Mass261.10
IUPAC Name[(4S)-2-oxo-4-prop-2-enyl-1,3-oxazolidin-4-yl]methyl benzoate
SMILESC=CC[C@]1(COC(=O)c2ccccc2)COC(=O)N1
InChIInChI=1S/C14H15NO4/c1-2-8-14(10-19-13(17)15-14)9-18-12(16)11-6-4-3-5-7-11/h2-7H,1,8-10H2,(H,15,17)/t14-/m0/s1
InChIKeyVXTIPLLBLPQGLI-AWEZNQCLSA-N
XLogP1.90
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 4065
1-Propanol, 2-methyl-2-(propylamino)-, 1-benzoate, hydrochloride (1:1)
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1-Propanol, 2-(butylamino)-2-methyl-, benzoate (ester), hydrochloride
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1-Propanol, 2-(ethylamino)-2-methyl-, benzoate (ester), hydrochloride
CID 3064370
2-(Tert-butylamino)-2-oxoethyl 2-iodobenzoate
CID 2509518
2-(tert-Butylamino)-2-oxoethyl benzoate
CID 2516894
2-(Acetylamino)ethyl benzoate
CID 221314
(1-Benzoyloxy-2-methylpropan-2-yl)-propylazanium chloride
CID 57514721
(S)-(-)-3-benzoyloxypyrrolidine
CID 11160511
L-Prolinbenzylester
CID 13373227
[(1S)-6-hydroxy-1-[(4R)-2-oxo-1,3-oxazolidin-4-yl]hexyl] benzoate
CID 392902

Frequently Asked Questions

What is the IUPAC name of [(4S)-2-oxo-4-prop-2-enyl-1,3-oxazolidin-4-yl]methyl benzoate?
The IUPAC name of [(4S)-2-oxo-4-prop-2-enyl-1,3-oxazolidin-4-yl]methyl benzoate (CID 72708149) is [(4S)-2-oxo-4-prop-2-enyl-1,3-oxazolidin-4-yl]methyl benzoate.
What is the SMILES notation for [(4S)-2-oxo-4-prop-2-enyl-1,3-oxazolidin-4-yl]methyl benzoate?
The canonical SMILES for [(4S)-2-oxo-4-prop-2-enyl-1,3-oxazolidin-4-yl]methyl benzoate is C=CC[C@]1(COC(=O)c2ccccc2)COC(=O)N1.
What is the InChIKey of [(4S)-2-oxo-4-prop-2-enyl-1,3-oxazolidin-4-yl]methyl benzoate?
The InChIKey is VXTIPLLBLPQGLI-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H15NO4/c1-2-8-14(10-19-13(17)15-14)9-18-12(16)11-6-4-3-5-7-11/h2-7H,1,8-10H2,(H,15,17)/t14-/m0/s1.
What are the key properties of [(4S)-2-oxo-4-prop-2-enyl-1,3-oxazolidin-4-yl]methyl benzoate?
[(4S)-2-oxo-4-prop-2-enyl-1,3-oxazolidin-4-yl]methyl benzoate has a molecular weight of 261.28 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S)-2-oxo-4-prop-2-enyl-1,3-oxazolidin-4-yl]methyl benzoate is sourced from PubChem (CID 72708149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).