3-[(E)-2-diphenylphosphoryl-2-phenylethenyl]-1,3-oxazolidin-2-one

C23H20NO3P — CID 164666686

IUPAC3-[(E)-2-diphenylphosphoryl-2-phenylethenyl]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1/C=C(\c1ccccc1)P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H20NO3P/c25-23-24(16-17-27-23)18-22(19-10-4-1-5-11-19)28(26,20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-15,18H,16-17H2/b22-18+
InChIKeySHJKENBGWSUITR-RELWKKBWSA-N
MW389.39 g/mol
LogP4.45
Rot. Bonds5

About 3-[(E)-2-diphenylphosphoryl-2-phenylethenyl]-1,3-oxazolidin-2-one

3-[(E)-2-diphenylphosphoryl-2-phenylethenyl]-1,3-oxazolidin-2-one (PubChem CID 164666686) has the molecular formula C23H20NO3P and a molecular weight of 389.39 g/mol. Its IUPAC name is 3-[(E)-2-diphenylphosphoryl-2-phenylethenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[(E)-2-diphenylphosphoryl-2-phenylethenyl]-1,3-oxazolidin-2-one
PubChem CID164666686
Molecular FormulaC23H20NO3P
Molecular Weight389.39 g/mol
Exact Mass389.12
IUPAC Name3-[(E)-2-diphenylphosphoryl-2-phenylethenyl]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1/C=C(\c1ccccc1)P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H20NO3P/c25-23-24(16-17-27-23)18-22(19-10-4-1-5-11-19)28(26,20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-15,18H,16-17H2/b22-18+
InChIKeySHJKENBGWSUITR-RELWKKBWSA-N
XLogP4.45
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.39
LogP ≤ 54.45
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-Styryl-oxazolidin-2-one
CID 13790906
3-[(Z)-2-phenyl-2-triphenylsilylethenyl]-1,3-oxazolidin-2-one
CID 138978331
3-[(Z)-[(2S,5R)-5-methyl-2-phenylcyclohex-3-en-1-ylidene]methyl]-1,3-oxazolidin-2-one
CID 125508766
3-[(E)-2-[dimethyl(phenyl)silyl]-2-phenylethenyl]-1,3-oxazolidin-2-one
CID 132504006
3-[(Z)-1-chloro-2,3,3-triphenylprop-1-enyl]-1,3-oxazolidin-2-one
CID 132605301
3-[(1Z)-2-phenylbuta-1,3-dienyl]-1,3-oxazolidin-2-one
CID 134941861
3-[(Z)-[(2S)-3-methyl-2-phenylcyclohex-3-en-1-ylidene]methyl]-1,3-oxazolidin-2-one
CID 134946570
3-[(Z)-[(2S,6R)-3,6-dimethyl-2-phenylcyclohex-3-en-1-ylidene]methyl]-1,3-oxazolidin-2-one
CID 134946571
3-[(Z)-[(2S)-2-phenylcyclohex-3-en-1-ylidene]methyl]-1,3-oxazolidin-2-one
CID 134965374
3-(Diphenylphosphorylmethyl)-1,3-oxazolidin-2-one
CID 134973982
3-[(Z)-[(2S,5R)-2,5-diphenylcyclohex-3-en-1-ylidene]methyl]-1,3-oxazolidin-2-one
CID 135061677
3-[(Z)-[(2S,5S,6R)-5,6-dimethyl-2-phenylcyclohex-3-en-1-ylidene]methyl]-1,3-oxazolidin-2-one
CID 135062837

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-diphenylphosphoryl-2-phenylethenyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[(E)-2-diphenylphosphoryl-2-phenylethenyl]-1,3-oxazolidin-2-one (CID 164666686) is 3-[(E)-2-diphenylphosphoryl-2-phenylethenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[(E)-2-diphenylphosphoryl-2-phenylethenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[(E)-2-diphenylphosphoryl-2-phenylethenyl]-1,3-oxazolidin-2-one is O=C1OCCN1/C=C(\c1ccccc1)P(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-[(E)-2-diphenylphosphoryl-2-phenylethenyl]-1,3-oxazolidin-2-one?
The InChIKey is SHJKENBGWSUITR-RELWKKBWSA-N. The full InChI is InChI=1S/C23H20NO3P/c25-23-24(16-17-27-23)18-22(19-10-4-1-5-11-19)28(26,20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-15,18H,16-17H2/b22-18+.
What are the key properties of 3-[(E)-2-diphenylphosphoryl-2-phenylethenyl]-1,3-oxazolidin-2-one?
3-[(E)-2-diphenylphosphoryl-2-phenylethenyl]-1,3-oxazolidin-2-one has a molecular weight of 389.39 g/mol, XLogP of 4.45, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-diphenylphosphoryl-2-phenylethenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 164666686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).