(2-formyl-5-morpholin-4-yl-1,3-oxazol-4-yl)-triphenylphosphanium

C26H24N2O3P+ — CID 11214889

IUPAC(2-formyl-5-morpholin-4-yl-1,3-oxazol-4-yl)-triphenylphosphanium
SMILESO=Cc1nc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)c(N2CCOCC2)o1
InChIInChI=1S/C26H24N2O3P/c29-20-24-27-25(26(31-24)28-16-18-30-19-17-28)32(21-10-4-1-5-11-21,22-12-6-2-7-13-22)23-14-8-3-9-15-23/h1-15,20H,16-19H2/q+1
InChIKeyWGYGRXVIPOGKCA-UHFFFAOYSA-N
MW443.46 g/mol
LogP2.94
Rot. Bonds6

About (2-formyl-5-morpholin-4-yl-1,3-oxazol-4-yl)-triphenylphosphanium

(2-formyl-5-morpholin-4-yl-1,3-oxazol-4-yl)-triphenylphosphanium (PubChem CID 11214889) has the molecular formula C26H24N2O3P+ and a molecular weight of 443.46 g/mol. Its IUPAC name is (2-formyl-5-morpholin-4-yl-1,3-oxazol-4-yl)-triphenylphosphanium.

Molecular Properties

Compound Name(2-formyl-5-morpholin-4-yl-1,3-oxazol-4-yl)-triphenylphosphanium
PubChem CID11214889
Molecular FormulaC26H24N2O3P+
Molecular Weight443.46 g/mol
Exact Mass443.15
IUPAC Name(2-formyl-5-morpholin-4-yl-1,3-oxazol-4-yl)-triphenylphosphanium
SMILESO=Cc1nc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)c(N2CCOCC2)o1
InChIInChI=1S/C26H24N2O3P/c29-20-24-27-25(26(31-24)28-16-18-30-19-17-28)32(21-10-4-1-5-11-21,22-12-6-2-7-13-22)23-14-8-3-9-15-23/h1-15,20H,16-19H2/q+1
InChIKeyWGYGRXVIPOGKCA-UHFFFAOYSA-N
XLogP2.94
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.46
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-formyl-5-morpholin-4-yl-1,3-oxazol-4-yl)-triphenylphosphanium?
The IUPAC name of (2-formyl-5-morpholin-4-yl-1,3-oxazol-4-yl)-triphenylphosphanium (CID 11214889) is (2-formyl-5-morpholin-4-yl-1,3-oxazol-4-yl)-triphenylphosphanium.
What is the SMILES notation for (2-formyl-5-morpholin-4-yl-1,3-oxazol-4-yl)-triphenylphosphanium?
The canonical SMILES for (2-formyl-5-morpholin-4-yl-1,3-oxazol-4-yl)-triphenylphosphanium is O=Cc1nc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)c(N2CCOCC2)o1.
What is the InChIKey of (2-formyl-5-morpholin-4-yl-1,3-oxazol-4-yl)-triphenylphosphanium?
The InChIKey is WGYGRXVIPOGKCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O3P/c29-20-24-27-25(26(31-24)28-16-18-30-19-17-28)32(21-10-4-1-5-11-21,22-12-6-2-7-13-22)23-14-8-3-9-15-23/h1-15,20H,16-19H2/q+1.
What are the key properties of (2-formyl-5-morpholin-4-yl-1,3-oxazol-4-yl)-triphenylphosphanium?
(2-formyl-5-morpholin-4-yl-1,3-oxazol-4-yl)-triphenylphosphanium has a molecular weight of 443.46 g/mol, XLogP of 2.94, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-formyl-5-morpholin-4-yl-1,3-oxazol-4-yl)-triphenylphosphanium is sourced from PubChem (CID 11214889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).