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

C25H19NO2PS+ — CID 3089967

IUPAC[2-(furan-2-yl)-5-sulfanyl-1,3-oxazol-4-yl]-triphenylphosphanium
SMILESSc1oc(-c2ccco2)nc1[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H18NO2PS/c30-25-24(26-23(28-25)22-17-10-18-27-22)29(19-11-4-1-5-12-19,20-13-6-2-7-14-20)21-15-8-3-9-16-21/h1-18H/p+1
InChIKeyBYNQLJJDLFKXNW-UHFFFAOYSA-O
MW428.47 g/mol
LogP4.84
Rot. Bonds5

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

[2-(furan-2-yl)-5-sulfanyl-1,3-oxazol-4-yl]-triphenylphosphanium (PubChem CID 3089967) has the molecular formula C25H19NO2PS+ and a molecular weight of 428.47 g/mol. Its IUPAC name is [2-(furan-2-yl)-5-sulfanyl-1,3-oxazol-4-yl]-triphenylphosphanium.

Molecular Properties

Compound Name[2-(furan-2-yl)-5-sulfanyl-1,3-oxazol-4-yl]-triphenylphosphanium
PubChem CID3089967
Molecular FormulaC25H19NO2PS+
Molecular Weight428.47 g/mol
Exact Mass428.09
IUPAC Name[2-(furan-2-yl)-5-sulfanyl-1,3-oxazol-4-yl]-triphenylphosphanium
SMILESSc1oc(-c2ccco2)nc1[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H18NO2PS/c30-25-24(26-23(28-25)22-17-10-18-27-22)29(19-11-4-1-5-12-19,20-13-6-2-7-14-20)21-15-8-3-9-16-21/h1-18H/p+1
InChIKeyBYNQLJJDLFKXNW-UHFFFAOYSA-O
XLogP4.84
TPSA39.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.47
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze [2-(furan-2-yl)-5-sulfanyl-1,3-oxazol-4-yl]-triphenylphosphanium 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

[2-(furan-2-yl)-5-methylsulfanyl-1,3-oxazol-4-yl]-triphenylphosphanium;hydroiodide
CID 126959135
[5-ethylsulfanyl-2-(furan-2-yl)-1,3-oxazol-4-yl]-triphenylphosphanium iodide
CID 18552796
[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
2-(furan-2-yl)-4,5-diphenyl-1,3-oxazole
CID 71740870
(5-methylsulfanyl-2-phenyl-1,3-oxazol-4-yl)-triphenylphosphanium iodide
CID 44659543
2-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-phenylethanamine
CID 82020897
2-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]ethanethiol
CID 82158215
2-(bromomethyl)-5-(furan-2-yl)-1,3,4-oxadiazole
CID 81222446
2-(chloromethyl)-5-(furan-2-yl)-1,3,4-oxadiazole
CID 3689757
2-(furan-2-yl)-5-(7-phenylheptyl)-1,3,4-oxadiazole
CID 44577822
2-(furan-2-yl)-1,3-benzoxazol-6-amine
CID 43117917

Frequently Asked Questions

What is the IUPAC name of [2-(furan-2-yl)-5-sulfanyl-1,3-oxazol-4-yl]-triphenylphosphanium?
The IUPAC name of [2-(furan-2-yl)-5-sulfanyl-1,3-oxazol-4-yl]-triphenylphosphanium (CID 3089967) is [2-(furan-2-yl)-5-sulfanyl-1,3-oxazol-4-yl]-triphenylphosphanium.
What is the SMILES notation for [2-(furan-2-yl)-5-sulfanyl-1,3-oxazol-4-yl]-triphenylphosphanium?
The canonical SMILES for [2-(furan-2-yl)-5-sulfanyl-1,3-oxazol-4-yl]-triphenylphosphanium is Sc1oc(-c2ccco2)nc1[P+](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of [2-(furan-2-yl)-5-sulfanyl-1,3-oxazol-4-yl]-triphenylphosphanium?
The InChIKey is BYNQLJJDLFKXNW-UHFFFAOYSA-O. The full InChI is InChI=1S/C25H18NO2PS/c30-25-24(26-23(28-25)22-17-10-18-27-22)29(19-11-4-1-5-12-19,20-13-6-2-7-14-20)21-15-8-3-9-16-21/h1-18H/p+1.
What are the key properties of [2-(furan-2-yl)-5-sulfanyl-1,3-oxazol-4-yl]-triphenylphosphanium?
[2-(furan-2-yl)-5-sulfanyl-1,3-oxazol-4-yl]-triphenylphosphanium has a molecular weight of 428.47 g/mol, XLogP of 4.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(furan-2-yl)-5-sulfanyl-1,3-oxazol-4-yl]-triphenylphosphanium is sourced from PubChem (CID 3089967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).