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

C26H25N2O3P — CID 5133492

IUPAC4-[4-diphenylphosphoryl-2-(2-methylphenyl)-1,3-oxazol-5-yl]morpholine
SMILESCc1ccccc1-c1nc(P(=O)(c2ccccc2)c2ccccc2)c(N2CCOCC2)o1
InChIInChI=1S/C26H25N2O3P/c1-20-10-8-9-15-23(20)24-27-25(26(31-24)28-16-18-30-19-17-28)32(29,21-11-4-2-5-12-21)22-13-6-3-7-14-22/h2-15H,16-19H2,1H3
InChIKeyCVKIIAUFUWMWKF-UHFFFAOYSA-N
MW444.47 g/mol
LogP4.13
Rot. Bonds5

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

4-[4-diphenylphosphoryl-2-(2-methylphenyl)-1,3-oxazol-5-yl]morpholine (PubChem CID 5133492) has the molecular formula C26H25N2O3P and a molecular weight of 444.47 g/mol. Its IUPAC name is 4-[4-diphenylphosphoryl-2-(2-methylphenyl)-1,3-oxazol-5-yl]morpholine.

Molecular Properties

Compound Name4-[4-diphenylphosphoryl-2-(2-methylphenyl)-1,3-oxazol-5-yl]morpholine
PubChem CID5133492
Molecular FormulaC26H25N2O3P
Molecular Weight444.47 g/mol
Exact Mass444.16
IUPAC Name4-[4-diphenylphosphoryl-2-(2-methylphenyl)-1,3-oxazol-5-yl]morpholine
SMILESCc1ccccc1-c1nc(P(=O)(c2ccccc2)c2ccccc2)c(N2CCOCC2)o1
InChIInChI=1S/C26H25N2O3P/c1-20-10-8-9-15-23(20)24-27-25(26(31-24)28-16-18-30-19-17-28)32(29,21-11-4-2-5-12-21)22-13-6-3-7-14-22/h2-15H,16-19H2,1H3
InChIKeyCVKIIAUFUWMWKF-UHFFFAOYSA-N
XLogP4.13
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.47
LogP ≤ 54.13
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-(2-methylphenyl)-1,3-oxazol-5-yl]morpholine?
The IUPAC name of 4-[4-diphenylphosphoryl-2-(2-methylphenyl)-1,3-oxazol-5-yl]morpholine (CID 5133492) is 4-[4-diphenylphosphoryl-2-(2-methylphenyl)-1,3-oxazol-5-yl]morpholine.
What is the SMILES notation for 4-[4-diphenylphosphoryl-2-(2-methylphenyl)-1,3-oxazol-5-yl]morpholine?
The canonical SMILES for 4-[4-diphenylphosphoryl-2-(2-methylphenyl)-1,3-oxazol-5-yl]morpholine is Cc1ccccc1-c1nc(P(=O)(c2ccccc2)c2ccccc2)c(N2CCOCC2)o1.
What is the InChIKey of 4-[4-diphenylphosphoryl-2-(2-methylphenyl)-1,3-oxazol-5-yl]morpholine?
The InChIKey is CVKIIAUFUWMWKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N2O3P/c1-20-10-8-9-15-23(20)24-27-25(26(31-24)28-16-18-30-19-17-28)32(29,21-11-4-2-5-12-21)22-13-6-3-7-14-22/h2-15H,16-19H2,1H3.
What are the key properties of 4-[4-diphenylphosphoryl-2-(2-methylphenyl)-1,3-oxazol-5-yl]morpholine?
4-[4-diphenylphosphoryl-2-(2-methylphenyl)-1,3-oxazol-5-yl]morpholine has a molecular weight of 444.47 g/mol, XLogP of 4.13, 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-(2-methylphenyl)-1,3-oxazol-5-yl]morpholine is sourced from PubChem (CID 5133492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).