3-methyl-5-[2-(triphenyl-λ5-phosphanylidene)ethyl]-1,3-oxazolidin-2-one

C24H24NO2P — CID 59351917

IUPAC3-methyl-5-[2-(triphenyl-λ5-phosphanylidene)ethyl]-1,3-oxazolidin-2-one
SMILESCN1CC(CC=P(c2ccccc2)(c2ccccc2)c2ccccc2)OC1=O
InChIInChI=1S/C24H24NO2P/c1-25-19-20(27-24(25)26)17-18-28(21-11-5-2-6-12-21,22-13-7-3-8-14-22)23-15-9-4-10-16-23/h2-16,18,20H,17,19H2,1H3
InChIKeyYPIRCZGCXKCPJC-UHFFFAOYSA-N
MW389.44 g/mol
LogP3.62
Rot. Bonds5

About 3-methyl-5-[2-(triphenyl-λ5-phosphanylidene)ethyl]-1,3-oxazolidin-2-one

3-methyl-5-[2-(triphenyl-λ5-phosphanylidene)ethyl]-1,3-oxazolidin-2-one (PubChem CID 59351917) has the molecular formula C24H24NO2P and a molecular weight of 389.44 g/mol. Its IUPAC name is 3-methyl-5-[2-(triphenyl-λ5-phosphanylidene)ethyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-methyl-5-[2-(triphenyl-λ5-phosphanylidene)ethyl]-1,3-oxazolidin-2-one
PubChem CID59351917
Molecular FormulaC24H24NO2P
Molecular Weight389.44 g/mol
Exact Mass389.15
IUPAC Name3-methyl-5-[2-(triphenyl-λ5-phosphanylidene)ethyl]-1,3-oxazolidin-2-one
SMILESCN1CC(CC=P(c2ccccc2)(c2ccccc2)c2ccccc2)OC1=O
InChIInChI=1S/C24H24NO2P/c1-25-19-20(27-24(25)26)17-18-28(21-11-5-2-6-12-21,22-13-7-3-8-14-22)23-15-9-4-10-16-23/h2-16,18,20H,17,19H2,1H3
InChIKeyYPIRCZGCXKCPJC-UHFFFAOYSA-N
XLogP3.62
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.44
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[2-(triphenyl-λ5-phosphanylidene)ethyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-methyl-5-[2-(triphenyl-λ5-phosphanylidene)ethyl]-1,3-oxazolidin-2-one (CID 59351917) is 3-methyl-5-[2-(triphenyl-λ5-phosphanylidene)ethyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-methyl-5-[2-(triphenyl-λ5-phosphanylidene)ethyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-methyl-5-[2-(triphenyl-λ5-phosphanylidene)ethyl]-1,3-oxazolidin-2-one is CN1CC(CC=P(c2ccccc2)(c2ccccc2)c2ccccc2)OC1=O.
What is the InChIKey of 3-methyl-5-[2-(triphenyl-λ5-phosphanylidene)ethyl]-1,3-oxazolidin-2-one?
The InChIKey is YPIRCZGCXKCPJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24NO2P/c1-25-19-20(27-24(25)26)17-18-28(21-11-5-2-6-12-21,22-13-7-3-8-14-22)23-15-9-4-10-16-23/h2-16,18,20H,17,19H2,1H3.
What are the key properties of 3-methyl-5-[2-(triphenyl-λ5-phosphanylidene)ethyl]-1,3-oxazolidin-2-one?
3-methyl-5-[2-(triphenyl-λ5-phosphanylidene)ethyl]-1,3-oxazolidin-2-one has a molecular weight of 389.44 g/mol, XLogP of 3.62, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[2-(triphenyl-λ5-phosphanylidene)ethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 59351917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).