benzyl (2S)-2-[(4R)-2-oxo-1,3-oxazolidin-4-yl]-3-phenylpropanoate

C19H19NO4 — CID 10958326

IUPACbenzyl (2S)-2-[(4R)-2-oxo-1,3-oxazolidin-4-yl]-3-phenylpropanoate
SMILESO=C1N[C@H]([C@H](Cc2ccccc2)C(=O)OCc2ccccc2)CO1
InChIInChI=1S/C19H19NO4/c21-18(23-12-15-9-5-2-6-10-15)16(17-13-24-19(22)20-17)11-14-7-3-1-4-8-14/h1-10,16-17H,11-13H2,(H,20,22)/t16-,17-/m0/s1
InChIKeyKCIQUUPNSBTKJD-IRXDYDNUSA-N
MW325.36 g/mol
LogP2.70
Rot. Bonds6

About benzyl (2S)-2-[(4R)-2-oxo-1,3-oxazolidin-4-yl]-3-phenylpropanoate

benzyl (2S)-2-[(4R)-2-oxo-1,3-oxazolidin-4-yl]-3-phenylpropanoate (PubChem CID 10958326) has the molecular formula C19H19NO4 and a molecular weight of 325.36 g/mol. Its IUPAC name is benzyl (2S)-2-[(4R)-2-oxo-1,3-oxazolidin-4-yl]-3-phenylpropanoate.

Molecular Properties

Compound Namebenzyl (2S)-2-[(4R)-2-oxo-1,3-oxazolidin-4-yl]-3-phenylpropanoate
PubChem CID10958326
Molecular FormulaC19H19NO4
Molecular Weight325.36 g/mol
Exact Mass325.13
IUPAC Namebenzyl (2S)-2-[(4R)-2-oxo-1,3-oxazolidin-4-yl]-3-phenylpropanoate
SMILESO=C1N[C@H]([C@H](Cc2ccccc2)C(=O)OCc2ccccc2)CO1
InChIInChI=1S/C19H19NO4/c21-18(23-12-15-9-5-2-6-10-15)16(17-13-24-19(22)20-17)11-14-7-3-1-4-8-14/h1-10,16-17H,11-13H2,(H,20,22)/t16-,17-/m0/s1
InChIKeyKCIQUUPNSBTKJD-IRXDYDNUSA-N
XLogP2.70
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl (2R)-2-[(4S)-2-oxo-1,3-oxazolidin-4-yl]-3-phenylpropanoate
CID 10912347
[(2S)-2-(2-oxo-1,3-oxazolidin-4-yl)-3-phenylmethoxypropyl] benzoate
CID 90291631
[(1S)-1-[(4R)-2-oxo-1,3-oxazolidin-4-yl]-2-phenylmethoxyethyl] benzoate
CID 15923967
(4S)-4-[(1R,2R)-1-hydroxy-3,3-dimethyl-2-phenylmethoxybutyl]-1,3-oxazolidin-2-one
CID 139252385
benzyl (4S)-2-oxo-1,3-oxazinane-4-carboxylate
CID 59668959
benzyl (2S)-2-cyclopropylpropanoate
CID 59779045
benzyl 4-[(4R)-2-oxo-1,3-oxazolidine-4-carbonyl]piperazine-1-carboxylate
CID 166253195
CID 57142158
CID 57142158
benzyl (2S)-2-[(1S,2R)-2-nitrocyclopentyl]-3-phenylpropanoate
CID 135017103
methyl (2R)-3-phenyl-2-[(2R)-piperidin-2-yl]propanoate
CID 10490732
benzyl (2S)-3-cyclopropyl-2-methylpropanoate
CID 126562545
benzyl 2-oxooxetane-3-carboxylate
CID 102128365

Frequently Asked Questions

What is the IUPAC name of benzyl (2S)-2-[(4R)-2-oxo-1,3-oxazolidin-4-yl]-3-phenylpropanoate?
The IUPAC name of benzyl (2S)-2-[(4R)-2-oxo-1,3-oxazolidin-4-yl]-3-phenylpropanoate (CID 10958326) is benzyl (2S)-2-[(4R)-2-oxo-1,3-oxazolidin-4-yl]-3-phenylpropanoate.
What is the SMILES notation for benzyl (2S)-2-[(4R)-2-oxo-1,3-oxazolidin-4-yl]-3-phenylpropanoate?
The canonical SMILES for benzyl (2S)-2-[(4R)-2-oxo-1,3-oxazolidin-4-yl]-3-phenylpropanoate is O=C1N[C@H]([C@H](Cc2ccccc2)C(=O)OCc2ccccc2)CO1.
What is the InChIKey of benzyl (2S)-2-[(4R)-2-oxo-1,3-oxazolidin-4-yl]-3-phenylpropanoate?
The InChIKey is KCIQUUPNSBTKJD-IRXDYDNUSA-N. The full InChI is InChI=1S/C19H19NO4/c21-18(23-12-15-9-5-2-6-10-15)16(17-13-24-19(22)20-17)11-14-7-3-1-4-8-14/h1-10,16-17H,11-13H2,(H,20,22)/t16-,17-/m0/s1.
What are the key properties of benzyl (2S)-2-[(4R)-2-oxo-1,3-oxazolidin-4-yl]-3-phenylpropanoate?
benzyl (2S)-2-[(4R)-2-oxo-1,3-oxazolidin-4-yl]-3-phenylpropanoate has a molecular weight of 325.36 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2S)-2-[(4R)-2-oxo-1,3-oxazolidin-4-yl]-3-phenylpropanoate is sourced from PubChem (CID 10958326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).