[2-(furan-2-yl)-5-methylsulfanyl-1,3-oxazol-4-yl]-triphenylphosphanium;hydroiodide

C26H22INO2PS+ — CID 126959135

IUPAC[2-(furan-2-yl)-5-methylsulfanyl-1,3-oxazol-4-yl]-triphenylphosphanium;hydroiodide
SMILESCSc1oc(-c2ccco2)nc1[P+](c1ccccc1)(c1ccccc1)c1ccccc1.I
InChIInChI=1S/C26H21NO2PS.HI/c1-31-26-25(27-24(29-26)23-18-11-19-28-23)30(20-12-5-2-6-13-20,21-14-7-3-8-15-21)22-16-9-4-10-17-22;/h2-19H,1H3;1H/q+1;
InChIKeyCQZWJAFDHKJLJP-UHFFFAOYSA-N
MW570.41 g/mol
LogP5.89
Rot. Bonds6

About [2-(furan-2-yl)-5-methylsulfanyl-1,3-oxazol-4-yl]-triphenylphosphanium;hydroiodide

[2-(furan-2-yl)-5-methylsulfanyl-1,3-oxazol-4-yl]-triphenylphosphanium;hydroiodide (PubChem CID 126959135) has the molecular formula C26H22INO2PS+ and a molecular weight of 570.41 g/mol. Its IUPAC name is [2-(furan-2-yl)-5-methylsulfanyl-1,3-oxazol-4-yl]-triphenylphosphanium;hydroiodide.

Molecular Properties

Compound Name[2-(furan-2-yl)-5-methylsulfanyl-1,3-oxazol-4-yl]-triphenylphosphanium;hydroiodide
PubChem CID126959135
Molecular FormulaC26H22INO2PS+
Molecular Weight570.41 g/mol
Exact Mass570.01
IUPAC Name[2-(furan-2-yl)-5-methylsulfanyl-1,3-oxazol-4-yl]-triphenylphosphanium;hydroiodide
SMILESCSc1oc(-c2ccco2)nc1[P+](c1ccccc1)(c1ccccc1)c1ccccc1.I
InChIInChI=1S/C26H21NO2PS.HI/c1-31-26-25(27-24(29-26)23-18-11-19-28-23)30(20-12-5-2-6-13-20,21-14-7-3-8-15-21)22-16-9-4-10-17-22;/h2-19H,1H3;1H/q+1;
InChIKeyCQZWJAFDHKJLJP-UHFFFAOYSA-N
XLogP5.89
TPSA39.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.41
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [2-(furan-2-yl)-5-methylsulfanyl-1,3-oxazol-4-yl]-triphenylphosphanium;hydroiodide with MolForge

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

Launch Full Analysis

Related Compounds

[5-ethylsulfanyl-2-(furan-2-yl)-1,3-oxazol-4-yl]-triphenylphosphanium iodide
CID 18552796
[5-methylsulfanyl-2-(5-methylsulfanyl-4-triphenylphosphaniumyl-1,3-oxazol-2-yl)-1,3-oxazol-4-yl]-triphenylphosphanium
CID 3090616
(5-methylsulfanyl-2-phenyl-1,3-oxazol-4-yl)-triphenylphosphanium iodide
CID 44659543
[2-(furan-2-yl)-5-sulfanyl-1,3-oxazol-4-yl]-triphenylphosphanium
CID 3089967
[2-(furan-2-yl)-5-piperidin-1-yl-1,3-oxazol-4-yl]-triphenylphosphanium
CID 3089961
[2-(furan-2-yl)-5-morpholin-4-yl-1,3-oxazol-4-yl]-triphenylphosphanium iodide
CID 18528090
(5-methylsulfanyl-1,3-oxazol-4-yl)-triphenylphosphanium iodide
CID 90489740
[2-(4-methylphenyl)-5-prop-2-enylsulfanyl-1,3-oxazol-4-yl]-triphenylphosphanium;hydroiodide
CID 126957740
4-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)-5-[(1S)-1-phenylethyl]sulfanyl-1,3-oxazole
CID 2157220
2-(furan-2-yl)-4,5-diphenyl-1,3-oxazole
CID 71740870
2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-dimethyl-2-phenylacetamide
CID 17475511
2-(furan-2-yl)-5-[1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]ethylsulfanyl]-1,3,4-oxadiazole
CID 42886296

Frequently Asked Questions

What is the IUPAC name of [2-(furan-2-yl)-5-methylsulfanyl-1,3-oxazol-4-yl]-triphenylphosphanium;hydroiodide?
The IUPAC name of [2-(furan-2-yl)-5-methylsulfanyl-1,3-oxazol-4-yl]-triphenylphosphanium;hydroiodide (CID 126959135) is [2-(furan-2-yl)-5-methylsulfanyl-1,3-oxazol-4-yl]-triphenylphosphanium;hydroiodide.
What is the SMILES notation for [2-(furan-2-yl)-5-methylsulfanyl-1,3-oxazol-4-yl]-triphenylphosphanium;hydroiodide?
The canonical SMILES for [2-(furan-2-yl)-5-methylsulfanyl-1,3-oxazol-4-yl]-triphenylphosphanium;hydroiodide is CSc1oc(-c2ccco2)nc1[P+](c1ccccc1)(c1ccccc1)c1ccccc1.I.
What is the InChIKey of [2-(furan-2-yl)-5-methylsulfanyl-1,3-oxazol-4-yl]-triphenylphosphanium;hydroiodide?
The InChIKey is CQZWJAFDHKJLJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21NO2PS.HI/c1-31-26-25(27-24(29-26)23-18-11-19-28-23)30(20-12-5-2-6-13-20,21-14-7-3-8-15-21)22-16-9-4-10-17-22;/h2-19H,1H3;1H/q+1;.
What are the key properties of [2-(furan-2-yl)-5-methylsulfanyl-1,3-oxazol-4-yl]-triphenylphosphanium;hydroiodide?
[2-(furan-2-yl)-5-methylsulfanyl-1,3-oxazol-4-yl]-triphenylphosphanium;hydroiodide has a molecular weight of 570.41 g/mol, XLogP of 5.89, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(furan-2-yl)-5-methylsulfanyl-1,3-oxazol-4-yl]-triphenylphosphanium;hydroiodide is sourced from PubChem (CID 126959135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).