(5R)-2-(4-chlorophenyl)-5-ethyl-4,5-diphenyl-1,3,4-oxadiazin-6-one

C23H19ClN2O2 — CID 25191664

IUPAC(5R)-2-(4-chlorophenyl)-5-ethyl-4,5-diphenyl-1,3,4-oxadiazin-6-one
SMILESCC[C@@]1(c2ccccc2)C(=O)OC(c2ccc(Cl)cc2)=NN1c1ccccc1
InChIInChI=1S/C23H19ClN2O2/c1-2-23(18-9-5-3-6-10-18)22(27)28-21(17-13-15-19(24)16-14-17)25-26(23)20-11-7-4-8-12-20/h3-16H,2H2,1H3/t23-/m1/s1
InChIKeyOFXHOSVVSOAFPG-HSZRJFAPSA-N
MW390.87 g/mol
LogP5.37
Rot. Bonds4

About (5R)-2-(4-chlorophenyl)-5-ethyl-4,5-diphenyl-1,3,4-oxadiazin-6-one

(5R)-2-(4-chlorophenyl)-5-ethyl-4,5-diphenyl-1,3,4-oxadiazin-6-one (PubChem CID 25191664) has the molecular formula C23H19ClN2O2 and a molecular weight of 390.87 g/mol. Its IUPAC name is (5R)-2-(4-chlorophenyl)-5-ethyl-4,5-diphenyl-1,3,4-oxadiazin-6-one.

Molecular Properties

Compound Name(5R)-2-(4-chlorophenyl)-5-ethyl-4,5-diphenyl-1,3,4-oxadiazin-6-one
PubChem CID25191664
Molecular FormulaC23H19ClN2O2
Molecular Weight390.87 g/mol
Exact Mass390.11
IUPAC Name(5R)-2-(4-chlorophenyl)-5-ethyl-4,5-diphenyl-1,3,4-oxadiazin-6-one
SMILESCC[C@@]1(c2ccccc2)C(=O)OC(c2ccc(Cl)cc2)=NN1c1ccccc1
InChIInChI=1S/C23H19ClN2O2/c1-2-23(18-9-5-3-6-10-18)22(27)28-21(17-13-15-19(24)16-14-17)25-26(23)20-11-7-4-8-12-20/h3-16H,2H2,1H3/t23-/m1/s1
InChIKeyOFXHOSVVSOAFPG-HSZRJFAPSA-N
XLogP5.37
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.87
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (5R)-2-(4-chlorophenyl)-5-ethyl-4,5-diphenyl-1,3,4-oxadiazin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5R)-2-(4-chlorophenyl)-5-ethyl-4,5-diphenyl-1,3,4-oxadiazin-6-one?
The IUPAC name of (5R)-2-(4-chlorophenyl)-5-ethyl-4,5-diphenyl-1,3,4-oxadiazin-6-one (CID 25191664) is (5R)-2-(4-chlorophenyl)-5-ethyl-4,5-diphenyl-1,3,4-oxadiazin-6-one.
What is the SMILES notation for (5R)-2-(4-chlorophenyl)-5-ethyl-4,5-diphenyl-1,3,4-oxadiazin-6-one?
The canonical SMILES for (5R)-2-(4-chlorophenyl)-5-ethyl-4,5-diphenyl-1,3,4-oxadiazin-6-one is CC[C@@]1(c2ccccc2)C(=O)OC(c2ccc(Cl)cc2)=NN1c1ccccc1.
What is the InChIKey of (5R)-2-(4-chlorophenyl)-5-ethyl-4,5-diphenyl-1,3,4-oxadiazin-6-one?
The InChIKey is OFXHOSVVSOAFPG-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H19ClN2O2/c1-2-23(18-9-5-3-6-10-18)22(27)28-21(17-13-15-19(24)16-14-17)25-26(23)20-11-7-4-8-12-20/h3-16H,2H2,1H3/t23-/m1/s1.
What are the key properties of (5R)-2-(4-chlorophenyl)-5-ethyl-4,5-diphenyl-1,3,4-oxadiazin-6-one?
(5R)-2-(4-chlorophenyl)-5-ethyl-4,5-diphenyl-1,3,4-oxadiazin-6-one has a molecular weight of 390.87 g/mol, XLogP of 5.37, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2-(4-chlorophenyl)-5-ethyl-4,5-diphenyl-1,3,4-oxadiazin-6-one is sourced from PubChem (CID 25191664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).