4-[[iodo(triphenyl)-λ5-phosphanyl]methyl]-3-methyl-1,3-oxazolidin-2-one

C23H23INO2P — CID 162743940

IUPAC4-[[iodo(triphenyl)-λ5-phosphanyl]methyl]-3-methyl-1,3-oxazolidin-2-one
SMILESCN1C(=O)OCC1CP(I)(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H23INO2P/c1-25-19(17-27-23(25)26)18-28(24,20-11-5-2-6-12-20,21-13-7-3-8-14-21)22-15-9-4-10-16-22/h2-16,19H,17-18H2,1H3
InChIKeyATPNQVQQZWBVAT-UHFFFAOYSA-N
MW503.32 g/mol
LogP4.32
Rot. Bonds5

About 4-[[iodo(triphenyl)-λ5-phosphanyl]methyl]-3-methyl-1,3-oxazolidin-2-one

4-[[iodo(triphenyl)-λ5-phosphanyl]methyl]-3-methyl-1,3-oxazolidin-2-one (PubChem CID 162743940) has the molecular formula C23H23INO2P and a molecular weight of 503.32 g/mol. Its IUPAC name is 4-[[iodo(triphenyl)-λ5-phosphanyl]methyl]-3-methyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-[[iodo(triphenyl)-λ5-phosphanyl]methyl]-3-methyl-1,3-oxazolidin-2-one
PubChem CID162743940
Molecular FormulaC23H23INO2P
Molecular Weight503.32 g/mol
Exact Mass503.05
IUPAC Name4-[[iodo(triphenyl)-λ5-phosphanyl]methyl]-3-methyl-1,3-oxazolidin-2-one
SMILESCN1C(=O)OCC1CP(I)(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H23INO2P/c1-25-19(17-27-23(25)26)18-28(24,20-11-5-2-6-12-20,21-13-7-3-8-14-21)22-15-9-4-10-16-22/h2-16,19H,17-18H2,1H3
InChIKeyATPNQVQQZWBVAT-UHFFFAOYSA-N
XLogP4.32
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.32
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(4S)-2-oxo-1,3-oxazolidin-4-yl]methyl-triphenylphosphanium
CID 11827058
Ethyl 4-diphenylphosphanyl-2-[(diphenylphosphanyl)-methyl]-pyrrolidine-1-carboxylate
CID 88907993
(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-diphenylphosphoryldec-1-enyl]-1,3-oxazolidin-2-one
CID 164666682
3-[(E)-1-deuterio-2-triphenylgermylethenyl]-4,4-dimethyl-1,3-oxazolidin-2-one
CID 176427617
[(Z)-(ethoxycarbonylamino)-(3-methyl-1,3-oxazolidin-2-ylidene)methyl]-triphenylphosphanium
CID 172674920
Ethyl 2-diphenylphosphorylpyrrolidine-1-carboxylate
CID 10854845
tert-butyl (2S,4S)-4-propan-2-yl-2-triphenylstannyl-1,3-oxazolidine-3-carboxylate
CID 11319021
tert-butyl (2R,4S)-4-propan-2-yl-2-triphenylstannyl-1,3-oxazolidine-3-carboxylate
CID 11786341
Butyl 4-diphenylphosphanyl-2-(diphenylphosphanylmethyl)pyrrolidine-1-carboxylate
CID 14641277
(2S,4S)-N-Butoxycarbonyl-4-diphenylphosphino-2-(diphenylphosphinomethyl)pyrrolidine
CID 14641278

Frequently Asked Questions

What is the IUPAC name of 4-[[iodo(triphenyl)-λ5-phosphanyl]methyl]-3-methyl-1,3-oxazolidin-2-one?
The IUPAC name of 4-[[iodo(triphenyl)-λ5-phosphanyl]methyl]-3-methyl-1,3-oxazolidin-2-one (CID 162743940) is 4-[[iodo(triphenyl)-λ5-phosphanyl]methyl]-3-methyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-[[iodo(triphenyl)-λ5-phosphanyl]methyl]-3-methyl-1,3-oxazolidin-2-one?
The canonical SMILES for 4-[[iodo(triphenyl)-λ5-phosphanyl]methyl]-3-methyl-1,3-oxazolidin-2-one is CN1C(=O)OCC1CP(I)(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 4-[[iodo(triphenyl)-λ5-phosphanyl]methyl]-3-methyl-1,3-oxazolidin-2-one?
The InChIKey is ATPNQVQQZWBVAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23INO2P/c1-25-19(17-27-23(25)26)18-28(24,20-11-5-2-6-12-20,21-13-7-3-8-14-21)22-15-9-4-10-16-22/h2-16,19H,17-18H2,1H3.
What are the key properties of 4-[[iodo(triphenyl)-λ5-phosphanyl]methyl]-3-methyl-1,3-oxazolidin-2-one?
4-[[iodo(triphenyl)-λ5-phosphanyl]methyl]-3-methyl-1,3-oxazolidin-2-one has a molecular weight of 503.32 g/mol, XLogP of 4.32, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[iodo(triphenyl)-λ5-phosphanyl]methyl]-3-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 162743940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).