[5-ethylsulfanyl-2-(fluoromethyl)-1,3-oxazol-4-yl]-triphenylphosphanium

C24H22FNOPS+ — CID 3695375

IUPAC[5-ethylsulfanyl-2-(fluoromethyl)-1,3-oxazol-4-yl]-triphenylphosphanium
SMILESCCSc1oc(CF)nc1[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H22FNOPS/c1-2-29-24-23(26-22(18-25)27-24)28(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21/h3-17H,2,18H2,1H3/q+1
InChIKeyQNEOQMDKKQLOKM-UHFFFAOYSA-N
MW422.49 g/mol
LogP4.88
Rot. Bonds7

About [5-ethylsulfanyl-2-(fluoromethyl)-1,3-oxazol-4-yl]-triphenylphosphanium

[5-ethylsulfanyl-2-(fluoromethyl)-1,3-oxazol-4-yl]-triphenylphosphanium (PubChem CID 3695375) has the molecular formula C24H22FNOPS+ and a molecular weight of 422.49 g/mol. Its IUPAC name is [5-ethylsulfanyl-2-(fluoromethyl)-1,3-oxazol-4-yl]-triphenylphosphanium.

Molecular Properties

Compound Name[5-ethylsulfanyl-2-(fluoromethyl)-1,3-oxazol-4-yl]-triphenylphosphanium
PubChem CID3695375
Molecular FormulaC24H22FNOPS+
Molecular Weight422.49 g/mol
Exact Mass422.11
IUPAC Name[5-ethylsulfanyl-2-(fluoromethyl)-1,3-oxazol-4-yl]-triphenylphosphanium
SMILESCCSc1oc(CF)nc1[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H22FNOPS/c1-2-29-24-23(26-22(18-25)27-24)28(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21/h3-17H,2,18H2,1H3/q+1
InChIKeyQNEOQMDKKQLOKM-UHFFFAOYSA-N
XLogP4.88
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [5-ethylsulfanyl-2-(fluoromethyl)-1,3-oxazol-4-yl]-triphenylphosphanium?
The IUPAC name of [5-ethylsulfanyl-2-(fluoromethyl)-1,3-oxazol-4-yl]-triphenylphosphanium (CID 3695375) is [5-ethylsulfanyl-2-(fluoromethyl)-1,3-oxazol-4-yl]-triphenylphosphanium.
What is the SMILES notation for [5-ethylsulfanyl-2-(fluoromethyl)-1,3-oxazol-4-yl]-triphenylphosphanium?
The canonical SMILES for [5-ethylsulfanyl-2-(fluoromethyl)-1,3-oxazol-4-yl]-triphenylphosphanium is CCSc1oc(CF)nc1[P+](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of [5-ethylsulfanyl-2-(fluoromethyl)-1,3-oxazol-4-yl]-triphenylphosphanium?
The InChIKey is QNEOQMDKKQLOKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FNOPS/c1-2-29-24-23(26-22(18-25)27-24)28(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21/h3-17H,2,18H2,1H3/q+1.
What are the key properties of [5-ethylsulfanyl-2-(fluoromethyl)-1,3-oxazol-4-yl]-triphenylphosphanium?
[5-ethylsulfanyl-2-(fluoromethyl)-1,3-oxazol-4-yl]-triphenylphosphanium has a molecular weight of 422.49 g/mol, XLogP of 4.88, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-ethylsulfanyl-2-(fluoromethyl)-1,3-oxazol-4-yl]-triphenylphosphanium is sourced from PubChem (CID 3695375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).