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

C17H15NO4 — CID 134948763

IUPAC[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-4-yl]methyl benzoate
SMILESO=C1N[C@](COC(=O)c2ccccc2)(c2ccccc2)CO1
InChIInChI=1S/C17H15NO4/c19-15(13-7-3-1-4-8-13)21-11-17(12-22-16(20)18-17)14-9-5-2-6-10-14/h1-10H,11-12H2,(H,18,20)/t17-/m0/s1
InChIKeyOCDPXLVQBLHJEO-KRWDZBQOSA-N
MW297.31 g/mol
LogP2.48
Rot. Bonds4

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

[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-4-yl]methyl benzoate (PubChem CID 134948763) has the molecular formula C17H15NO4 and a molecular weight of 297.31 g/mol. Its IUPAC name is [(4S)-2-oxo-4-phenyl-1,3-oxazolidin-4-yl]methyl benzoate.

Molecular Properties

Compound Name[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-4-yl]methyl benzoate
PubChem CID134948763
Molecular FormulaC17H15NO4
Molecular Weight297.31 g/mol
Exact Mass297.10
IUPAC Name[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-4-yl]methyl benzoate
SMILESO=C1N[C@](COC(=O)c2ccccc2)(c2ccccc2)CO1
InChIInChI=1S/C17H15NO4/c19-15(13-7-3-1-4-8-13)21-11-17(12-22-16(20)18-17)14-9-5-2-6-10-14/h1-10H,11-12H2,(H,18,20)/t17-/m0/s1
InChIKeyOCDPXLVQBLHJEO-KRWDZBQOSA-N
XLogP2.48
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(4-chlorophenyl)-2-oxo-1,3-oxazolidin-4-yl]methyl benzoate
CID 102224412
(5-methyl-2-sulfanylidene-1,3-dioxan-5-yl)methyl benzoate
CID 86212389
1-(benzoyloxymethyl)cyclopropane-1-carboxylic acid
CID 174589063
(1-methylcyclopropyl)methyl benzoate
CID 10465127
(2,2,4-trimethyl-1,3-dioxolan-4-yl)methyl benzoate
CID 163980482
(4-benzoyloxy-2,3-dihydroxybutyl) benzoate
CID 569984
[2-(hydroxymethyl)-1,3-dioxan-2-yl]methyl benzoate
CID 59792406
4-(benzoyloxymethyl)-4-cyanopiperidine-1-carboxylic acid
CID 129116027
[(2R,3S,4S)-3,4-dihydroxy-2-methyloxolan-2-yl]methyl benzoate
CID 170219507
[8-(benzoyloxymethyl)-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraen-1-yl]methyl benzoate
CID 118899810
[1-(methylamino)cyclopropyl]methyl benzoate
CID 155255956
[(2R,3R,4R,5R)-6-benzoyloxy-2,3,4,5-tetrahydroxyhexyl] benzoate
CID 14018806

Frequently Asked Questions

What is the IUPAC name of [(4S)-2-oxo-4-phenyl-1,3-oxazolidin-4-yl]methyl benzoate?
The IUPAC name of [(4S)-2-oxo-4-phenyl-1,3-oxazolidin-4-yl]methyl benzoate (CID 134948763) is [(4S)-2-oxo-4-phenyl-1,3-oxazolidin-4-yl]methyl benzoate.
What is the SMILES notation for [(4S)-2-oxo-4-phenyl-1,3-oxazolidin-4-yl]methyl benzoate?
The canonical SMILES for [(4S)-2-oxo-4-phenyl-1,3-oxazolidin-4-yl]methyl benzoate is O=C1N[C@](COC(=O)c2ccccc2)(c2ccccc2)CO1.
What is the InChIKey of [(4S)-2-oxo-4-phenyl-1,3-oxazolidin-4-yl]methyl benzoate?
The InChIKey is OCDPXLVQBLHJEO-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H15NO4/c19-15(13-7-3-1-4-8-13)21-11-17(12-22-16(20)18-17)14-9-5-2-6-10-14/h1-10H,11-12H2,(H,18,20)/t17-/m0/s1.
What are the key properties of [(4S)-2-oxo-4-phenyl-1,3-oxazolidin-4-yl]methyl benzoate?
[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-4-yl]methyl benzoate has a molecular weight of 297.31 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S)-2-oxo-4-phenyl-1,3-oxazolidin-4-yl]methyl benzoate is sourced from PubChem (CID 134948763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).