3-(diphenylphosphorylmethyl)-1,3-oxazolidin-2-one

C16H16NO3P — CID 134973982

IUPAC3-(diphenylphosphorylmethyl)-1,3-oxazolidin-2-one
SMILESO=C1OCCN1CP(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H16NO3P/c18-16-17(11-12-20-16)13-21(19,14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10H,11-13H2
InChIKeyJMJUVPXYVKQKKM-UHFFFAOYSA-N
MW301.28 g/mol
LogP2.41
Rot. Bonds4

About 3-(diphenylphosphorylmethyl)-1,3-oxazolidin-2-one

3-(diphenylphosphorylmethyl)-1,3-oxazolidin-2-one (PubChem CID 134973982) has the molecular formula C16H16NO3P and a molecular weight of 301.28 g/mol. Its IUPAC name is 3-(diphenylphosphorylmethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-(diphenylphosphorylmethyl)-1,3-oxazolidin-2-one
PubChem CID134973982
Molecular FormulaC16H16NO3P
Molecular Weight301.28 g/mol
Exact Mass301.09
IUPAC Name3-(diphenylphosphorylmethyl)-1,3-oxazolidin-2-one
SMILESO=C1OCCN1CP(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H16NO3P/c18-16-17(11-12-20-16)13-21(19,14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10H,11-13H2
InChIKeyJMJUVPXYVKQKKM-UHFFFAOYSA-N
XLogP2.41
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.28
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-Diphenylphosphoryl-1,3-oxazolidin-2-one
CID 878715
(4S)-3-diphenylphosphoryl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 10687777
3-(2-Diphenylphosphorylbutanoyl)-1,3-oxazolidin-2-one
CID 134944343
3-[(3R)-3-diphenylphosphorylbutanoyl]-1,3-oxazolidin-2-one
CID 139256768
3-[(E)-2-diphenylphosphoryldec-1-enyl]-1,3-oxazolidin-2-one
CID 164666682
3-[(E)-2-diphenylphosphoryl-2-phenylethenyl]-1,3-oxazolidin-2-one
CID 164666686
Ethyl 2-diphenylphosphorylpyrrolidine-1-carboxylate
CID 10854845
3-Methyl-5-[2-(triphenyl-lambda5-phosphanylidene)ethyl]-1,3-oxazolidin-2-one
CID 59351917
CID 88177979
CID 88177979
3-Ethyl-5-[2-(triphenyl-lambda5-phosphanylidene)ethyl]-1,3-oxazolidin-2-one
CID 118547552
3-(2-Diphenylphosphanylethyl)-1,3-oxazolidin-2-one
CID 130297944
3-[(2-Oxo-1,3-oxazolidin-3-yl)-phenylphosphoryl]-1,3-oxazolidin-2-one
CID 142711303

Frequently Asked Questions

What is the IUPAC name of 3-(diphenylphosphorylmethyl)-1,3-oxazolidin-2-one?
The IUPAC name of 3-(diphenylphosphorylmethyl)-1,3-oxazolidin-2-one (CID 134973982) is 3-(diphenylphosphorylmethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-(diphenylphosphorylmethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 3-(diphenylphosphorylmethyl)-1,3-oxazolidin-2-one is O=C1OCCN1CP(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-(diphenylphosphorylmethyl)-1,3-oxazolidin-2-one?
The InChIKey is JMJUVPXYVKQKKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16NO3P/c18-16-17(11-12-20-16)13-21(19,14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10H,11-13H2.
What are the key properties of 3-(diphenylphosphorylmethyl)-1,3-oxazolidin-2-one?
3-(diphenylphosphorylmethyl)-1,3-oxazolidin-2-one has a molecular weight of 301.28 g/mol, XLogP of 2.41, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diphenylphosphorylmethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 134973982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).