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

C17H22ClN2O5P — CID 2304920

IUPAC4-[2-(2-chlorophenyl)-4-diethoxyphosphoryl-1,3-oxazol-5-yl]morpholine
SMILESCCOP(=O)(OCC)c1nc(-c2ccccc2Cl)oc1N1CCOCC1
InChIInChI=1S/C17H22ClN2O5P/c1-3-23-26(21,24-4-2)16-17(20-9-11-22-12-10-20)25-15(19-16)13-7-5-6-8-14(13)18/h5-8H,3-4,9-12H2,1-2H3
InChIKeyNOSVWVGFVQLDMO-UHFFFAOYSA-N
MW400.80 g/mol
LogP3.72
Rot. Bonds7

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

4-[2-(2-chlorophenyl)-4-diethoxyphosphoryl-1,3-oxazol-5-yl]morpholine (PubChem CID 2304920) has the molecular formula C17H22ClN2O5P and a molecular weight of 400.80 g/mol. Its IUPAC name is 4-[2-(2-chlorophenyl)-4-diethoxyphosphoryl-1,3-oxazol-5-yl]morpholine.

Molecular Properties

Compound Name4-[2-(2-chlorophenyl)-4-diethoxyphosphoryl-1,3-oxazol-5-yl]morpholine
PubChem CID2304920
Molecular FormulaC17H22ClN2O5P
Molecular Weight400.80 g/mol
Exact Mass400.10
IUPAC Name4-[2-(2-chlorophenyl)-4-diethoxyphosphoryl-1,3-oxazol-5-yl]morpholine
SMILESCCOP(=O)(OCC)c1nc(-c2ccccc2Cl)oc1N1CCOCC1
InChIInChI=1S/C17H22ClN2O5P/c1-3-23-26(21,24-4-2)16-17(20-9-11-22-12-10-20)25-15(19-16)13-7-5-6-8-14(13)18/h5-8H,3-4,9-12H2,1-2H3
InChIKeyNOSVWVGFVQLDMO-UHFFFAOYSA-N
XLogP3.72
TPSA74.03 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.80
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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-[2-(2-chlorophenyl)-4-diethoxyphosphoryl-1,3-oxazol-5-yl]morpholine?
The IUPAC name of 4-[2-(2-chlorophenyl)-4-diethoxyphosphoryl-1,3-oxazol-5-yl]morpholine (CID 2304920) is 4-[2-(2-chlorophenyl)-4-diethoxyphosphoryl-1,3-oxazol-5-yl]morpholine.
What is the SMILES notation for 4-[2-(2-chlorophenyl)-4-diethoxyphosphoryl-1,3-oxazol-5-yl]morpholine?
The canonical SMILES for 4-[2-(2-chlorophenyl)-4-diethoxyphosphoryl-1,3-oxazol-5-yl]morpholine is CCOP(=O)(OCC)c1nc(-c2ccccc2Cl)oc1N1CCOCC1.
What is the InChIKey of 4-[2-(2-chlorophenyl)-4-diethoxyphosphoryl-1,3-oxazol-5-yl]morpholine?
The InChIKey is NOSVWVGFVQLDMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN2O5P/c1-3-23-26(21,24-4-2)16-17(20-9-11-22-12-10-20)25-15(19-16)13-7-5-6-8-14(13)18/h5-8H,3-4,9-12H2,1-2H3.
What are the key properties of 4-[2-(2-chlorophenyl)-4-diethoxyphosphoryl-1,3-oxazol-5-yl]morpholine?
4-[2-(2-chlorophenyl)-4-diethoxyphosphoryl-1,3-oxazol-5-yl]morpholine has a molecular weight of 400.80 g/mol, XLogP of 3.72, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-chlorophenyl)-4-diethoxyphosphoryl-1,3-oxazol-5-yl]morpholine is sourced from PubChem (CID 2304920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).