2-(2,4-dichlorophenyl)-4-diphenylphosphoryl-5-piperidin-1-yl-1,3-oxazole

C26H23Cl2N2O2P — CID 3885184

IUPAC2-(2,4-dichlorophenyl)-4-diphenylphosphoryl-5-piperidin-1-yl-1,3-oxazole
SMILESO=P(c1ccccc1)(c1ccccc1)c1nc(-c2ccc(Cl)cc2Cl)oc1N1CCCCC1
InChIInChI=1S/C26H23Cl2N2O2P/c27-19-14-15-22(23(28)18-19)24-29-25(26(32-24)30-16-8-3-9-17-30)33(31,20-10-4-1-5-11-20)21-12-6-2-7-13-21/h1-2,4-7,10-15,18H,3,8-9,16-17H2
InChIKeyKJDHYSWMHVWURA-UHFFFAOYSA-N
MW497.36 g/mol
LogP6.28
Rot. Bonds5

About 2-(2,4-dichlorophenyl)-4-diphenylphosphoryl-5-piperidin-1-yl-1,3-oxazole

2-(2,4-dichlorophenyl)-4-diphenylphosphoryl-5-piperidin-1-yl-1,3-oxazole (PubChem CID 3885184) has the molecular formula C26H23Cl2N2O2P and a molecular weight of 497.36 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-4-diphenylphosphoryl-5-piperidin-1-yl-1,3-oxazole.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-4-diphenylphosphoryl-5-piperidin-1-yl-1,3-oxazole
PubChem CID3885184
Molecular FormulaC26H23Cl2N2O2P
Molecular Weight497.36 g/mol
Exact Mass496.09
IUPAC Name2-(2,4-dichlorophenyl)-4-diphenylphosphoryl-5-piperidin-1-yl-1,3-oxazole
SMILESO=P(c1ccccc1)(c1ccccc1)c1nc(-c2ccc(Cl)cc2Cl)oc1N1CCCCC1
InChIInChI=1S/C26H23Cl2N2O2P/c27-19-14-15-22(23(28)18-19)24-29-25(26(32-24)30-16-8-3-9-17-30)33(31,20-10-4-1-5-11-20)21-12-6-2-7-13-21/h1-2,4-7,10-15,18H,3,8-9,16-17H2
InChIKeyKJDHYSWMHVWURA-UHFFFAOYSA-N
XLogP6.28
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.36
LogP ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-4-diphenylphosphoryl-5-piperidin-1-yl-1,3-oxazole?
The IUPAC name of 2-(2,4-dichlorophenyl)-4-diphenylphosphoryl-5-piperidin-1-yl-1,3-oxazole (CID 3885184) is 2-(2,4-dichlorophenyl)-4-diphenylphosphoryl-5-piperidin-1-yl-1,3-oxazole.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-4-diphenylphosphoryl-5-piperidin-1-yl-1,3-oxazole?
The canonical SMILES for 2-(2,4-dichlorophenyl)-4-diphenylphosphoryl-5-piperidin-1-yl-1,3-oxazole is O=P(c1ccccc1)(c1ccccc1)c1nc(-c2ccc(Cl)cc2Cl)oc1N1CCCCC1.
What is the InChIKey of 2-(2,4-dichlorophenyl)-4-diphenylphosphoryl-5-piperidin-1-yl-1,3-oxazole?
The InChIKey is KJDHYSWMHVWURA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23Cl2N2O2P/c27-19-14-15-22(23(28)18-19)24-29-25(26(32-24)30-16-8-3-9-17-30)33(31,20-10-4-1-5-11-20)21-12-6-2-7-13-21/h1-2,4-7,10-15,18H,3,8-9,16-17H2.
What are the key properties of 2-(2,4-dichlorophenyl)-4-diphenylphosphoryl-5-piperidin-1-yl-1,3-oxazole?
2-(2,4-dichlorophenyl)-4-diphenylphosphoryl-5-piperidin-1-yl-1,3-oxazole has a molecular weight of 497.36 g/mol, XLogP of 6.28, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-4-diphenylphosphoryl-5-piperidin-1-yl-1,3-oxazole is sourced from PubChem (CID 3885184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).