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

C25H26NO2P — CID 118547552

IUPAC3-ethyl-5-[2-(triphenyl-λ5-phosphanylidene)ethyl]-1,3-oxazolidin-2-one
SMILESCCN1CC(CC=P(c2ccccc2)(c2ccccc2)c2ccccc2)OC1=O
InChIInChI=1S/C25H26NO2P/c1-2-26-20-21(28-25(26)27)18-19-29(22-12-6-3-7-13-22,23-14-8-4-9-15-23)24-16-10-5-11-17-24/h3-17,19,21H,2,18,20H2,1H3
InChIKeyKDSUQNAJYWFLLQ-UHFFFAOYSA-N
MW403.46 g/mol
LogP4.01
Rot. Bonds6

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

3-ethyl-5-[2-(triphenyl-λ5-phosphanylidene)ethyl]-1,3-oxazolidin-2-one (PubChem CID 118547552) has the molecular formula C25H26NO2P and a molecular weight of 403.46 g/mol. Its IUPAC name is 3-ethyl-5-[2-(triphenyl-λ5-phosphanylidene)ethyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-ethyl-5-[2-(triphenyl-λ5-phosphanylidene)ethyl]-1,3-oxazolidin-2-one
PubChem CID118547552
Molecular FormulaC25H26NO2P
Molecular Weight403.46 g/mol
Exact Mass403.17
IUPAC Name3-ethyl-5-[2-(triphenyl-λ5-phosphanylidene)ethyl]-1,3-oxazolidin-2-one
SMILESCCN1CC(CC=P(c2ccccc2)(c2ccccc2)c2ccccc2)OC1=O
InChIInChI=1S/C25H26NO2P/c1-2-26-20-21(28-25(26)27)18-19-29(22-12-6-3-7-13-22,23-14-8-4-9-15-23)24-16-10-5-11-17-24/h3-17,19,21H,2,18,20H2,1H3
InChIKeyKDSUQNAJYWFLLQ-UHFFFAOYSA-N
XLogP4.01
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.46
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-[2-(triphenyl-λ5-phosphanylidene)ethyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-ethyl-5-[2-(triphenyl-λ5-phosphanylidene)ethyl]-1,3-oxazolidin-2-one (CID 118547552) is 3-ethyl-5-[2-(triphenyl-λ5-phosphanylidene)ethyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-ethyl-5-[2-(triphenyl-λ5-phosphanylidene)ethyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-ethyl-5-[2-(triphenyl-λ5-phosphanylidene)ethyl]-1,3-oxazolidin-2-one is CCN1CC(CC=P(c2ccccc2)(c2ccccc2)c2ccccc2)OC1=O.
What is the InChIKey of 3-ethyl-5-[2-(triphenyl-λ5-phosphanylidene)ethyl]-1,3-oxazolidin-2-one?
The InChIKey is KDSUQNAJYWFLLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26NO2P/c1-2-26-20-21(28-25(26)27)18-19-29(22-12-6-3-7-13-22,23-14-8-4-9-15-23)24-16-10-5-11-17-24/h3-17,19,21H,2,18,20H2,1H3.
What are the key properties of 3-ethyl-5-[2-(triphenyl-λ5-phosphanylidene)ethyl]-1,3-oxazolidin-2-one?
3-ethyl-5-[2-(triphenyl-λ5-phosphanylidene)ethyl]-1,3-oxazolidin-2-one has a molecular weight of 403.46 g/mol, XLogP of 4.01, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-[2-(triphenyl-λ5-phosphanylidene)ethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 118547552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).