4-[2-(4-chlorophenyl)-4-diphenylphosphoryl-1,3-oxazol-5-yl]morpholine

C25H22ClN2O3P — CID 2887448

IUPAC4-[2-(4-chlorophenyl)-4-diphenylphosphoryl-1,3-oxazol-5-yl]morpholine
SMILESO=P(c1ccccc1)(c1ccccc1)c1nc(-c2ccc(Cl)cc2)oc1N1CCOCC1
InChIInChI=1S/C25H22ClN2O3P/c26-20-13-11-19(12-14-20)23-27-24(25(31-23)28-15-17-30-18-16-28)32(29,21-7-3-1-4-8-21)22-9-5-2-6-10-22/h1-14H,15-18H2
InChIKeyCAHPBNWTJHOGDX-UHFFFAOYSA-N
MW464.89 g/mol
LogP4.47
Rot. Bonds5

About 4-[2-(4-chlorophenyl)-4-diphenylphosphoryl-1,3-oxazol-5-yl]morpholine

4-[2-(4-chlorophenyl)-4-diphenylphosphoryl-1,3-oxazol-5-yl]morpholine (PubChem CID 2887448) has the molecular formula C25H22ClN2O3P and a molecular weight of 464.89 g/mol. Its IUPAC name is 4-[2-(4-chlorophenyl)-4-diphenylphosphoryl-1,3-oxazol-5-yl]morpholine.

Molecular Properties

Compound Name4-[2-(4-chlorophenyl)-4-diphenylphosphoryl-1,3-oxazol-5-yl]morpholine
PubChem CID2887448
Molecular FormulaC25H22ClN2O3P
Molecular Weight464.89 g/mol
Exact Mass464.11
IUPAC Name4-[2-(4-chlorophenyl)-4-diphenylphosphoryl-1,3-oxazol-5-yl]morpholine
SMILESO=P(c1ccccc1)(c1ccccc1)c1nc(-c2ccc(Cl)cc2)oc1N1CCOCC1
InChIInChI=1S/C25H22ClN2O3P/c26-20-13-11-19(12-14-20)23-27-24(25(31-23)28-15-17-30-18-16-28)32(29,21-7-3-1-4-8-21)22-9-5-2-6-10-22/h1-14H,15-18H2
InChIKeyCAHPBNWTJHOGDX-UHFFFAOYSA-N
XLogP4.47
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.89
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-[2-(4-chlorophenyl)-4-diphenylphosphoryl-1,3-oxazol-5-yl]morpholine 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 4-[2-(4-chlorophenyl)-4-diphenylphosphoryl-1,3-oxazol-5-yl]morpholine?
The IUPAC name of 4-[2-(4-chlorophenyl)-4-diphenylphosphoryl-1,3-oxazol-5-yl]morpholine (CID 2887448) is 4-[2-(4-chlorophenyl)-4-diphenylphosphoryl-1,3-oxazol-5-yl]morpholine.
What is the SMILES notation for 4-[2-(4-chlorophenyl)-4-diphenylphosphoryl-1,3-oxazol-5-yl]morpholine?
The canonical SMILES for 4-[2-(4-chlorophenyl)-4-diphenylphosphoryl-1,3-oxazol-5-yl]morpholine is O=P(c1ccccc1)(c1ccccc1)c1nc(-c2ccc(Cl)cc2)oc1N1CCOCC1.
What is the InChIKey of 4-[2-(4-chlorophenyl)-4-diphenylphosphoryl-1,3-oxazol-5-yl]morpholine?
The InChIKey is CAHPBNWTJHOGDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClN2O3P/c26-20-13-11-19(12-14-20)23-27-24(25(31-23)28-15-17-30-18-16-28)32(29,21-7-3-1-4-8-21)22-9-5-2-6-10-22/h1-14H,15-18H2.
What are the key properties of 4-[2-(4-chlorophenyl)-4-diphenylphosphoryl-1,3-oxazol-5-yl]morpholine?
4-[2-(4-chlorophenyl)-4-diphenylphosphoryl-1,3-oxazol-5-yl]morpholine has a molecular weight of 464.89 g/mol, XLogP of 4.47, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-chlorophenyl)-4-diphenylphosphoryl-1,3-oxazol-5-yl]morpholine is sourced from PubChem (CID 2887448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).