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

C29H26IN2O3P — CID 18528090

IUPAC[2-(furan-2-yl)-5-morpholin-4-yl-1,3-oxazol-4-yl]-triphenylphosphanium iodide
SMILES[I-].c1ccc([P+](c2ccccc2)(c2ccccc2)c2nc(-c3ccco3)oc2N2CCOCC2)cc1
InChIInChI=1S/C29H26N2O3P.HI/c1-4-11-23(12-5-1)35(24-13-6-2-7-14-24,25-15-8-3-9-16-25)28-29(31-18-21-32-22-19-31)34-27(30-28)26-17-10-20-33-26;/h1-17,20H,18-19,21-22H2;1H/q+1;/p-1
InChIKeyHJMQFEIQMKKWLP-UHFFFAOYSA-M
MW608.42 g/mol
LogP1.39
Rot. Bonds6

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

[2-(furan-2-yl)-5-morpholin-4-yl-1,3-oxazol-4-yl]-triphenylphosphanium iodide (PubChem CID 18528090) has the molecular formula C29H26IN2O3P and a molecular weight of 608.42 g/mol. Its IUPAC name is [2-(furan-2-yl)-5-morpholin-4-yl-1,3-oxazol-4-yl]-triphenylphosphanium iodide.

Molecular Properties

Compound Name[2-(furan-2-yl)-5-morpholin-4-yl-1,3-oxazol-4-yl]-triphenylphosphanium iodide
PubChem CID18528090
Molecular FormulaC29H26IN2O3P
Molecular Weight608.42 g/mol
Exact Mass608.07
IUPAC Name[2-(furan-2-yl)-5-morpholin-4-yl-1,3-oxazol-4-yl]-triphenylphosphanium iodide
SMILES[I-].c1ccc([P+](c2ccccc2)(c2ccccc2)c2nc(-c3ccco3)oc2N2CCOCC2)cc1
InChIInChI=1S/C29H26N2O3P.HI/c1-4-11-23(12-5-1)35(24-13-6-2-7-14-24,25-15-8-3-9-16-25)28-29(31-18-21-32-22-19-31)34-27(30-28)26-17-10-20-33-26;/h1-17,20H,18-19,21-22H2;1H/q+1;/p-1
InChIKeyHJMQFEIQMKKWLP-UHFFFAOYSA-M
XLogP1.39
TPSA51.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500608.42
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-(furan-2-yl)-5-morpholin-4-yl-1,3-oxazol-4-yl]-triphenylphosphanium iodide?
The IUPAC name of [2-(furan-2-yl)-5-morpholin-4-yl-1,3-oxazol-4-yl]-triphenylphosphanium iodide (CID 18528090) is [2-(furan-2-yl)-5-morpholin-4-yl-1,3-oxazol-4-yl]-triphenylphosphanium iodide.
What is the SMILES notation for [2-(furan-2-yl)-5-morpholin-4-yl-1,3-oxazol-4-yl]-triphenylphosphanium iodide?
The canonical SMILES for [2-(furan-2-yl)-5-morpholin-4-yl-1,3-oxazol-4-yl]-triphenylphosphanium iodide is [I-].c1ccc([P+](c2ccccc2)(c2ccccc2)c2nc(-c3ccco3)oc2N2CCOCC2)cc1.
What is the InChIKey of [2-(furan-2-yl)-5-morpholin-4-yl-1,3-oxazol-4-yl]-triphenylphosphanium iodide?
The InChIKey is HJMQFEIQMKKWLP-UHFFFAOYSA-M. The full InChI is InChI=1S/C29H26N2O3P.HI/c1-4-11-23(12-5-1)35(24-13-6-2-7-14-24,25-15-8-3-9-16-25)28-29(31-18-21-32-22-19-31)34-27(30-28)26-17-10-20-33-26;/h1-17,20H,18-19,21-22H2;1H/q+1;/p-1.
What are the key properties of [2-(furan-2-yl)-5-morpholin-4-yl-1,3-oxazol-4-yl]-triphenylphosphanium iodide?
[2-(furan-2-yl)-5-morpholin-4-yl-1,3-oxazol-4-yl]-triphenylphosphanium iodide has a molecular weight of 608.42 g/mol, XLogP of 1.39, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(furan-2-yl)-5-morpholin-4-yl-1,3-oxazol-4-yl]-triphenylphosphanium iodide is sourced from PubChem (CID 18528090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).