[2-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)-2-oxoethyl] dihydrogen phosphate

C12H14NO7P — CID 18009250

IUPAC[2-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)-2-oxoethyl] dihydrogen phosphate
SMILESO=C(COP(=O)(O)O)N1C(=O)OCC1Cc1ccccc1
InChIInChI=1S/C12H14NO7P/c14-11(8-20-21(16,17)18)13-10(7-19-12(13)15)6-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H2,16,17,18)
InChIKeyZNNYHSTYGBCSDW-UHFFFAOYSA-N
MW315.22 g/mol
LogP0.69
Rot. Bonds5

About [2-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)-2-oxoethyl] dihydrogen phosphate

[2-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)-2-oxoethyl] dihydrogen phosphate (PubChem CID 18009250) has the molecular formula C12H14NO7P and a molecular weight of 315.22 g/mol. Its IUPAC name is [2-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)-2-oxoethyl] dihydrogen phosphate.

Molecular Properties

Compound Name[2-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)-2-oxoethyl] dihydrogen phosphate
PubChem CID18009250
Molecular FormulaC12H14NO7P
Molecular Weight315.22 g/mol
Exact Mass315.05
IUPAC Name[2-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)-2-oxoethyl] dihydrogen phosphate
SMILESO=C(COP(=O)(O)O)N1C(=O)OCC1Cc1ccccc1
InChIInChI=1S/C12H14NO7P/c14-11(8-20-21(16,17)18)13-10(7-19-12(13)15)6-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H2,16,17,18)
InChIKeyZNNYHSTYGBCSDW-UHFFFAOYSA-N
XLogP0.69
TPSA113.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.22
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(4R)-4-benzyl-3-(2-propan-2-yloxyacetyl)-1,3-oxazolidin-2-one
CID 90130755
4-benzyl-3-(2-phenylacetyl)-1,3-oxazolidin-2-one
CID 15597771
(4S)-4-benzyl-3-(2-phenylacetyl)-1,3-oxazolidin-2-one
CID 11130206
4-benzyl-3-(2-cyclopentyloxyacetyl)-1,3-oxazolidin-2-one
CID 175591418
1,6-bis[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]hexane-1,6-dione
CID 92642348
(4S)-3-acetyl-4-benzyl-1,3-oxazolidin-2-one
CID 735929
(4S)-4-benzyl-3-(4-phenylbutanoyl)-1,3-oxazolidin-2-one
CID 10592004
(4R)-4-benzyl-3-[2-(2-ethylphenyl)acetyl]-1,3-oxazolidin-2-one
CID 131876215
4-benzyl-3-(3-hydroxy-3-phenylbutanoyl)-1,3-oxazolidin-2-one
CID 118938439
(4S)-4-benzyl-3-(4,4,4-trifluorobutanoyl)-1,3-oxazolidin-2-one
CID 71477692
1-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]hexane-1,4-dione
CID 176582828
(4S)-4-benzyl-3-pent-4-ynoyl-1,3-oxazolidin-2-one
CID 102401586

Frequently Asked Questions

What is the IUPAC name of [2-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)-2-oxoethyl] dihydrogen phosphate?
The IUPAC name of [2-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)-2-oxoethyl] dihydrogen phosphate (CID 18009250) is [2-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)-2-oxoethyl] dihydrogen phosphate.
What is the SMILES notation for [2-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)-2-oxoethyl] dihydrogen phosphate?
The canonical SMILES for [2-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)-2-oxoethyl] dihydrogen phosphate is O=C(COP(=O)(O)O)N1C(=O)OCC1Cc1ccccc1.
What is the InChIKey of [2-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)-2-oxoethyl] dihydrogen phosphate?
The InChIKey is ZNNYHSTYGBCSDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14NO7P/c14-11(8-20-21(16,17)18)13-10(7-19-12(13)15)6-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H2,16,17,18).
What are the key properties of [2-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)-2-oxoethyl] dihydrogen phosphate?
[2-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)-2-oxoethyl] dihydrogen phosphate has a molecular weight of 315.22 g/mol, XLogP of 0.69, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)-2-oxoethyl] dihydrogen phosphate is sourced from PubChem (CID 18009250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).