4-(4-diphenylphosphoryl-2-phenyl-1,3-oxazol-5-yl)morpholine

C25H23N2O3P — CID 3735145

IUPAC4-(4-diphenylphosphoryl-2-phenyl-1,3-oxazol-5-yl)morpholine
SMILESO=P(c1ccccc1)(c1ccccc1)c1nc(-c2ccccc2)oc1N1CCOCC1
InChIInChI=1S/C25H23N2O3P/c28-31(21-12-6-2-7-13-21,22-14-8-3-9-15-22)24-25(27-16-18-29-19-17-27)30-23(26-24)20-10-4-1-5-11-20/h1-15H,16-19H2
InChIKeyCBFCKSKMLKSNJJ-UHFFFAOYSA-N
MW430.44 g/mol
LogP3.82
Rot. Bonds5

About 4-(4-diphenylphosphoryl-2-phenyl-1,3-oxazol-5-yl)morpholine

4-(4-diphenylphosphoryl-2-phenyl-1,3-oxazol-5-yl)morpholine (PubChem CID 3735145) has the molecular formula C25H23N2O3P and a molecular weight of 430.44 g/mol. Its IUPAC name is 4-(4-diphenylphosphoryl-2-phenyl-1,3-oxazol-5-yl)morpholine.

Molecular Properties

Compound Name4-(4-diphenylphosphoryl-2-phenyl-1,3-oxazol-5-yl)morpholine
PubChem CID3735145
Molecular FormulaC25H23N2O3P
Molecular Weight430.44 g/mol
Exact Mass430.14
IUPAC Name4-(4-diphenylphosphoryl-2-phenyl-1,3-oxazol-5-yl)morpholine
SMILESO=P(c1ccccc1)(c1ccccc1)c1nc(-c2ccccc2)oc1N1CCOCC1
InChIInChI=1S/C25H23N2O3P/c28-31(21-12-6-2-7-13-21,22-14-8-3-9-15-22)24-25(27-16-18-29-19-17-27)30-23(26-24)20-10-4-1-5-11-20/h1-15H,16-19H2
InChIKeyCBFCKSKMLKSNJJ-UHFFFAOYSA-N
XLogP3.82
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.44
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-diphenylphosphoryl-2-phenyl-1,3-oxazol-5-yl)morpholine?
The IUPAC name of 4-(4-diphenylphosphoryl-2-phenyl-1,3-oxazol-5-yl)morpholine (CID 3735145) is 4-(4-diphenylphosphoryl-2-phenyl-1,3-oxazol-5-yl)morpholine.
What is the SMILES notation for 4-(4-diphenylphosphoryl-2-phenyl-1,3-oxazol-5-yl)morpholine?
The canonical SMILES for 4-(4-diphenylphosphoryl-2-phenyl-1,3-oxazol-5-yl)morpholine is O=P(c1ccccc1)(c1ccccc1)c1nc(-c2ccccc2)oc1N1CCOCC1.
What is the InChIKey of 4-(4-diphenylphosphoryl-2-phenyl-1,3-oxazol-5-yl)morpholine?
The InChIKey is CBFCKSKMLKSNJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N2O3P/c28-31(21-12-6-2-7-13-21,22-14-8-3-9-15-22)24-25(27-16-18-29-19-17-27)30-23(26-24)20-10-4-1-5-11-20/h1-15H,16-19H2.
What are the key properties of 4-(4-diphenylphosphoryl-2-phenyl-1,3-oxazol-5-yl)morpholine?
4-(4-diphenylphosphoryl-2-phenyl-1,3-oxazol-5-yl)morpholine has a molecular weight of 430.44 g/mol, XLogP of 3.82, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-diphenylphosphoryl-2-phenyl-1,3-oxazol-5-yl)morpholine is sourced from PubChem (CID 3735145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).