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

C20H21N2O3P — CID 2887281

IUPAC4-(4-diphenylphosphoryl-2-methyl-1,3-oxazol-5-yl)morpholine
SMILESCc1nc(P(=O)(c2ccccc2)c2ccccc2)c(N2CCOCC2)o1
InChIInChI=1S/C20H21N2O3P/c1-16-21-19(20(25-16)22-12-14-24-15-13-22)26(23,17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-11H,12-15H2,1H3
InChIKeyKWZMLUULPPCROQ-UHFFFAOYSA-N
MW368.37 g/mol
LogP2.46
Rot. Bonds4

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

4-(4-diphenylphosphoryl-2-methyl-1,3-oxazol-5-yl)morpholine (PubChem CID 2887281) has the molecular formula C20H21N2O3P and a molecular weight of 368.37 g/mol. Its IUPAC name is 4-(4-diphenylphosphoryl-2-methyl-1,3-oxazol-5-yl)morpholine.

Molecular Properties

Compound Name4-(4-diphenylphosphoryl-2-methyl-1,3-oxazol-5-yl)morpholine
PubChem CID2887281
Molecular FormulaC20H21N2O3P
Molecular Weight368.37 g/mol
Exact Mass368.13
IUPAC Name4-(4-diphenylphosphoryl-2-methyl-1,3-oxazol-5-yl)morpholine
SMILESCc1nc(P(=O)(c2ccccc2)c2ccccc2)c(N2CCOCC2)o1
InChIInChI=1S/C20H21N2O3P/c1-16-21-19(20(25-16)22-12-14-24-15-13-22)26(23,17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-11H,12-15H2,1H3
InChIKeyKWZMLUULPPCROQ-UHFFFAOYSA-N
XLogP2.46
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.37
LogP ≤ 52.46
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-methyl-1,3-oxazol-5-yl)morpholine?
The IUPAC name of 4-(4-diphenylphosphoryl-2-methyl-1,3-oxazol-5-yl)morpholine (CID 2887281) is 4-(4-diphenylphosphoryl-2-methyl-1,3-oxazol-5-yl)morpholine.
What is the SMILES notation for 4-(4-diphenylphosphoryl-2-methyl-1,3-oxazol-5-yl)morpholine?
The canonical SMILES for 4-(4-diphenylphosphoryl-2-methyl-1,3-oxazol-5-yl)morpholine is Cc1nc(P(=O)(c2ccccc2)c2ccccc2)c(N2CCOCC2)o1.
What is the InChIKey of 4-(4-diphenylphosphoryl-2-methyl-1,3-oxazol-5-yl)morpholine?
The InChIKey is KWZMLUULPPCROQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N2O3P/c1-16-21-19(20(25-16)22-12-14-24-15-13-22)26(23,17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-11H,12-15H2,1H3.
What are the key properties of 4-(4-diphenylphosphoryl-2-methyl-1,3-oxazol-5-yl)morpholine?
4-(4-diphenylphosphoryl-2-methyl-1,3-oxazol-5-yl)morpholine has a molecular weight of 368.37 g/mol, XLogP of 2.46, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-diphenylphosphoryl-2-methyl-1,3-oxazol-5-yl)morpholine is sourced from PubChem (CID 2887281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).