[2-(furan-3-yl)-5-prop-2-enylsulfanyl-1,3-oxazol-4-yl]-triphenylphosphanium

C28H23NO2PS+ — CID 5073339

IUPAC[2-(furan-3-yl)-5-prop-2-enylsulfanyl-1,3-oxazol-4-yl]-triphenylphosphanium
SMILESC=CCSc1oc(-c2ccoc2)nc1[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H23NO2PS/c1-2-20-33-28-27(29-26(31-28)22-18-19-30-21-22)32(23-12-6-3-7-13-23,24-14-8-4-9-15-24)25-16-10-5-11-17-25/h2-19,21H,1,20H2/q+1
InChIKeyWYNDPJTYPQMCMR-UHFFFAOYSA-N
MW468.54 g/mol
LogP5.83
Rot. Bonds8

About [2-(furan-3-yl)-5-prop-2-enylsulfanyl-1,3-oxazol-4-yl]-triphenylphosphanium

[2-(furan-3-yl)-5-prop-2-enylsulfanyl-1,3-oxazol-4-yl]-triphenylphosphanium (PubChem CID 5073339) has the molecular formula C28H23NO2PS+ and a molecular weight of 468.54 g/mol. Its IUPAC name is [2-(furan-3-yl)-5-prop-2-enylsulfanyl-1,3-oxazol-4-yl]-triphenylphosphanium.

Molecular Properties

Compound Name[2-(furan-3-yl)-5-prop-2-enylsulfanyl-1,3-oxazol-4-yl]-triphenylphosphanium
PubChem CID5073339
Molecular FormulaC28H23NO2PS+
Molecular Weight468.54 g/mol
Exact Mass468.12
IUPAC Name[2-(furan-3-yl)-5-prop-2-enylsulfanyl-1,3-oxazol-4-yl]-triphenylphosphanium
SMILESC=CCSc1oc(-c2ccoc2)nc1[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H23NO2PS/c1-2-20-33-28-27(29-26(31-28)22-18-19-30-21-22)32(23-12-6-3-7-13-23,24-14-8-4-9-15-24)25-16-10-5-11-17-25/h2-19,21H,1,20H2/q+1
InChIKeyWYNDPJTYPQMCMR-UHFFFAOYSA-N
XLogP5.83
TPSA39.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.54
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

triphenyl-(2-phenyl-5-prop-2-enylsulfanyl-1,3-oxazol-4-yl)phosphanium;hydroiodide
CID 126957790
[2-(4-methylphenyl)-5-prop-2-enylsulfanyl-1,3-oxazol-4-yl]-triphenylphosphanium;hydroiodide
CID 126957740
(5-methylsulfanyl-2-phenyl-1,3-oxazol-4-yl)-triphenylphosphanium iodide
CID 44659543
[5-methylsulfanyl-2-(5-methylsulfanyl-4-triphenylphosphaniumyl-1,3-oxazol-2-yl)-1,3-oxazol-4-yl]-triphenylphosphanium
CID 3090616
[5-ethylsulfanyl-2-(furan-2-yl)-1,3-oxazol-4-yl]-triphenylphosphanium iodide
CID 18552796
[2-(4-methylphenyl)-5-prop-2-enylsulfanyl-1,3-thiazol-4-yl]-triphenylphosphanium iodide
CID 45046730
[2-(2,4-dichlorophenyl)-5-ethylsulfanyl-1,3-oxazol-4-yl]-triphenylphosphanium
CID 3091241
[5-ethylsulfanyl-2-(2-phenylethenyl)-1,3-oxazol-4-yl]-triphenylphosphanium;hydroiodide
CID 126959159
[2-(4-chlorophenyl)-5-prop-2-enylsulfanyl-1,3-thiazol-4-yl]-triphenylphosphanium;hydroiodide
CID 126958036
[2-(4-chlorophenyl)-5-thiocyanato-1,3-oxazol-4-yl]-triphenylphosphanium;perchloric acid
CID 126957771
1-benzyl-5-(5-prop-2-enylsulfanyl-1,3,4-oxadiazol-2-yl)pyridin-2-one
CID 2766583
ethane;3-phenylfuran
CID 91349399

Frequently Asked Questions

What is the IUPAC name of [2-(furan-3-yl)-5-prop-2-enylsulfanyl-1,3-oxazol-4-yl]-triphenylphosphanium?
The IUPAC name of [2-(furan-3-yl)-5-prop-2-enylsulfanyl-1,3-oxazol-4-yl]-triphenylphosphanium (CID 5073339) is [2-(furan-3-yl)-5-prop-2-enylsulfanyl-1,3-oxazol-4-yl]-triphenylphosphanium.
What is the SMILES notation for [2-(furan-3-yl)-5-prop-2-enylsulfanyl-1,3-oxazol-4-yl]-triphenylphosphanium?
The canonical SMILES for [2-(furan-3-yl)-5-prop-2-enylsulfanyl-1,3-oxazol-4-yl]-triphenylphosphanium is C=CCSc1oc(-c2ccoc2)nc1[P+](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of [2-(furan-3-yl)-5-prop-2-enylsulfanyl-1,3-oxazol-4-yl]-triphenylphosphanium?
The InChIKey is WYNDPJTYPQMCMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23NO2PS/c1-2-20-33-28-27(29-26(31-28)22-18-19-30-21-22)32(23-12-6-3-7-13-23,24-14-8-4-9-15-24)25-16-10-5-11-17-25/h2-19,21H,1,20H2/q+1.
What are the key properties of [2-(furan-3-yl)-5-prop-2-enylsulfanyl-1,3-oxazol-4-yl]-triphenylphosphanium?
[2-(furan-3-yl)-5-prop-2-enylsulfanyl-1,3-oxazol-4-yl]-triphenylphosphanium has a molecular weight of 468.54 g/mol, XLogP of 5.83, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(furan-3-yl)-5-prop-2-enylsulfanyl-1,3-oxazol-4-yl]-triphenylphosphanium is sourced from PubChem (CID 5073339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).