3-[(E)-2-diphenylphosphoryldec-1-enyl]-1,3-oxazolidin-2-one

C25H32NO3P — CID 164666682

IUPAC3-[(E)-2-diphenylphosphoryldec-1-enyl]-1,3-oxazolidin-2-one
SMILESCCCCCCCC/C(=C\N1CCOC1=O)P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H32NO3P/c1-2-3-4-5-6-9-18-24(21-26-19-20-29-25(26)27)30(28,22-14-10-7-11-15-22)23-16-12-8-13-17-23/h7-8,10-17,21H,2-6,9,18-20H2,1H3/b24-21+
InChIKeyWILIARDJHSLGBI-DARPEHSRSA-N
MW425.51 g/mol
LogP6.04
Rot. Bonds11

About 3-[(E)-2-diphenylphosphoryldec-1-enyl]-1,3-oxazolidin-2-one

3-[(E)-2-diphenylphosphoryldec-1-enyl]-1,3-oxazolidin-2-one (PubChem CID 164666682) has the molecular formula C25H32NO3P and a molecular weight of 425.51 g/mol. Its IUPAC name is 3-[(E)-2-diphenylphosphoryldec-1-enyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[(E)-2-diphenylphosphoryldec-1-enyl]-1,3-oxazolidin-2-one
PubChem CID164666682
Molecular FormulaC25H32NO3P
Molecular Weight425.51 g/mol
Exact Mass425.21
IUPAC Name3-[(E)-2-diphenylphosphoryldec-1-enyl]-1,3-oxazolidin-2-one
SMILESCCCCCCCC/C(=C\N1CCOC1=O)P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H32NO3P/c1-2-3-4-5-6-9-18-24(21-26-19-20-29-25(26)27)30(28,22-14-10-7-11-15-22)23-16-12-8-13-17-23/h7-8,10-17,21H,2-6,9,18-20H2,1H3/b24-21+
InChIKeyWILIARDJHSLGBI-DARPEHSRSA-N
XLogP6.04
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.51
LogP ≤ 56.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-(Diphenylphosphorylmethyl)-1,3-oxazolidin-2-one
CID 134973982
3-[(E)-2-diphenylphosphoryl-2-phenylethenyl]-1,3-oxazolidin-2-one
CID 164666686
Ethyl 2-diphenylphosphorylpyrrolidine-1-carboxylate
CID 10854845
3-(2-Diphenylphosphanylethyl)-1,3-oxazolidin-2-one
CID 130297944
3-(2-Diphenylphosphanylethyl)-1,3-oxazolidin-2-one;ethane
CID 145024452
4-[[Iodo(triphenyl)-lambda5-phosphanyl]methyl]-3-methyl-1,3-oxazolidin-2-one
CID 162743940
Benzene;3-methyl-1,3-oxazolidin-2-one
CID 169108917
(3-Methyl-2-oxo-1,3-oxazolidin-4-yl)methyl-triphenylphosphanium iodide
CID 169725717
3-[2-Bis(4-methylphenyl)phosphanylethyl]-1,3-oxazolidin-2-one
CID 176630237
3-[(E)-2,4-diphenylbut-1-enyl]-1,3-oxazolidin-2-one
CID 101520864

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-diphenylphosphoryldec-1-enyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[(E)-2-diphenylphosphoryldec-1-enyl]-1,3-oxazolidin-2-one (CID 164666682) is 3-[(E)-2-diphenylphosphoryldec-1-enyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[(E)-2-diphenylphosphoryldec-1-enyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[(E)-2-diphenylphosphoryldec-1-enyl]-1,3-oxazolidin-2-one is CCCCCCCC/C(=C\N1CCOC1=O)P(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-[(E)-2-diphenylphosphoryldec-1-enyl]-1,3-oxazolidin-2-one?
The InChIKey is WILIARDJHSLGBI-DARPEHSRSA-N. The full InChI is InChI=1S/C25H32NO3P/c1-2-3-4-5-6-9-18-24(21-26-19-20-29-25(26)27)30(28,22-14-10-7-11-15-22)23-16-12-8-13-17-23/h7-8,10-17,21H,2-6,9,18-20H2,1H3/b24-21+.
What are the key properties of 3-[(E)-2-diphenylphosphoryldec-1-enyl]-1,3-oxazolidin-2-one?
3-[(E)-2-diphenylphosphoryldec-1-enyl]-1,3-oxazolidin-2-one has a molecular weight of 425.51 g/mol, XLogP of 6.04, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-diphenylphosphoryldec-1-enyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 164666682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).