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

C26H26IN2O2P — CID 45046577

IUPAC(2-methyl-5-morpholin-4-yl-1,3-oxazol-4-yl)-triphenylphosphanium iodide
SMILESCc1nc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)c(N2CCOCC2)o1.[I-]
InChIInChI=1S/C26H26N2O2P.HI/c1-21-27-25(26(30-21)28-17-19-29-20-18-28)31(22-11-5-2-6-12-22,23-13-7-3-8-14-23)24-15-9-4-10-16-24;/h2-16H,17-20H2,1H3;1H/q+1;/p-1
InChIKeyOIKGUMWGSFCWPK-UHFFFAOYSA-M
MW556.38 g/mol
LogP0.44
Rot. Bonds5

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

(2-methyl-5-morpholin-4-yl-1,3-oxazol-4-yl)-triphenylphosphanium iodide (PubChem CID 45046577) has the molecular formula C26H26IN2O2P and a molecular weight of 556.38 g/mol. Its IUPAC name is (2-methyl-5-morpholin-4-yl-1,3-oxazol-4-yl)-triphenylphosphanium iodide.

Molecular Properties

Compound Name(2-methyl-5-morpholin-4-yl-1,3-oxazol-4-yl)-triphenylphosphanium iodide
PubChem CID45046577
Molecular FormulaC26H26IN2O2P
Molecular Weight556.38 g/mol
Exact Mass556.08
IUPAC Name(2-methyl-5-morpholin-4-yl-1,3-oxazol-4-yl)-triphenylphosphanium iodide
SMILESCc1nc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)c(N2CCOCC2)o1.[I-]
InChIInChI=1S/C26H26N2O2P.HI/c1-21-27-25(26(30-21)28-17-19-29-20-18-28)31(22-11-5-2-6-12-22,23-13-7-3-8-14-23)24-15-9-4-10-16-24;/h2-16H,17-20H2,1H3;1H/q+1;/p-1
InChIKeyOIKGUMWGSFCWPK-UHFFFAOYSA-M
XLogP0.44
TPSA38.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500556.38
LogP ≤ 50.44
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-methyl-5-morpholin-4-yl-1,3-oxazol-4-yl)-triphenylphosphanium iodide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2-methyl-5-morpholin-4-yl-1,3-oxazol-4-yl)-triphenylphosphanium iodide?
The IUPAC name of (2-methyl-5-morpholin-4-yl-1,3-oxazol-4-yl)-triphenylphosphanium iodide (CID 45046577) is (2-methyl-5-morpholin-4-yl-1,3-oxazol-4-yl)-triphenylphosphanium iodide.
What is the SMILES notation for (2-methyl-5-morpholin-4-yl-1,3-oxazol-4-yl)-triphenylphosphanium iodide?
The canonical SMILES for (2-methyl-5-morpholin-4-yl-1,3-oxazol-4-yl)-triphenylphosphanium iodide is Cc1nc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)c(N2CCOCC2)o1.[I-].
What is the InChIKey of (2-methyl-5-morpholin-4-yl-1,3-oxazol-4-yl)-triphenylphosphanium iodide?
The InChIKey is OIKGUMWGSFCWPK-UHFFFAOYSA-M. The full InChI is InChI=1S/C26H26N2O2P.HI/c1-21-27-25(26(30-21)28-17-19-29-20-18-28)31(22-11-5-2-6-12-22,23-13-7-3-8-14-23)24-15-9-4-10-16-24;/h2-16H,17-20H2,1H3;1H/q+1;/p-1.
What are the key properties of (2-methyl-5-morpholin-4-yl-1,3-oxazol-4-yl)-triphenylphosphanium iodide?
(2-methyl-5-morpholin-4-yl-1,3-oxazol-4-yl)-triphenylphosphanium iodide has a molecular weight of 556.38 g/mol, XLogP of 0.44, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-5-morpholin-4-yl-1,3-oxazol-4-yl)-triphenylphosphanium iodide is sourced from PubChem (CID 45046577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).