2-(2-diethoxyphosphorylethyl)-4,5-diphenyl-1,3-oxazole

C21H24NO4P — CID 58701608

IUPAC2-(2-diethoxyphosphorylethyl)-4,5-diphenyl-1,3-oxazole
SMILESCCOP(=O)(CCc1nc(-c2ccccc2)c(-c2ccccc2)o1)OCC
InChIInChI=1S/C21H24NO4P/c1-3-24-27(23,25-4-2)16-15-19-22-20(17-11-7-5-8-12-17)21(26-19)18-13-9-6-10-14-18/h5-14H,3-4,15-16H2,1-2H3
InChIKeyHTPIIXCOSDSJAB-UHFFFAOYSA-N
MW385.40 g/mol
LogP5.82
Rot. Bonds9

About 2-(2-diethoxyphosphorylethyl)-4,5-diphenyl-1,3-oxazole

2-(2-diethoxyphosphorylethyl)-4,5-diphenyl-1,3-oxazole (PubChem CID 58701608) has the molecular formula C21H24NO4P and a molecular weight of 385.40 g/mol. Its IUPAC name is 2-(2-diethoxyphosphorylethyl)-4,5-diphenyl-1,3-oxazole.

Molecular Properties

Compound Name2-(2-diethoxyphosphorylethyl)-4,5-diphenyl-1,3-oxazole
PubChem CID58701608
Molecular FormulaC21H24NO4P
Molecular Weight385.40 g/mol
Exact Mass385.14
IUPAC Name2-(2-diethoxyphosphorylethyl)-4,5-diphenyl-1,3-oxazole
SMILESCCOP(=O)(CCc1nc(-c2ccccc2)c(-c2ccccc2)o1)OCC
InChIInChI=1S/C21H24NO4P/c1-3-24-27(23,25-4-2)16-15-19-22-20(17-11-7-5-8-12-17)21(26-19)18-13-9-6-10-14-18/h5-14H,3-4,15-16H2,1-2H3
InChIKeyHTPIIXCOSDSJAB-UHFFFAOYSA-N
XLogP5.82
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.40
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-diethoxyphosphorylethyl)-4,5-diphenyl-1,3-oxazole?
The IUPAC name of 2-(2-diethoxyphosphorylethyl)-4,5-diphenyl-1,3-oxazole (CID 58701608) is 2-(2-diethoxyphosphorylethyl)-4,5-diphenyl-1,3-oxazole.
What is the SMILES notation for 2-(2-diethoxyphosphorylethyl)-4,5-diphenyl-1,3-oxazole?
The canonical SMILES for 2-(2-diethoxyphosphorylethyl)-4,5-diphenyl-1,3-oxazole is CCOP(=O)(CCc1nc(-c2ccccc2)c(-c2ccccc2)o1)OCC.
What is the InChIKey of 2-(2-diethoxyphosphorylethyl)-4,5-diphenyl-1,3-oxazole?
The InChIKey is HTPIIXCOSDSJAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24NO4P/c1-3-24-27(23,25-4-2)16-15-19-22-20(17-11-7-5-8-12-17)21(26-19)18-13-9-6-10-14-18/h5-14H,3-4,15-16H2,1-2H3.
What are the key properties of 2-(2-diethoxyphosphorylethyl)-4,5-diphenyl-1,3-oxazole?
2-(2-diethoxyphosphorylethyl)-4,5-diphenyl-1,3-oxazole has a molecular weight of 385.40 g/mol, XLogP of 5.82, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-diethoxyphosphorylethyl)-4,5-diphenyl-1,3-oxazole is sourced from PubChem (CID 58701608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).