4,5-diphenyl-3-(2-phenylethyl)-1,3-oxazol-2-one

C23H19NO2 — CID 12681028

IUPAC4,5-diphenyl-3-(2-phenylethyl)-1,3-oxazol-2-one
SMILESO=c1oc(-c2ccccc2)c(-c2ccccc2)n1CCc1ccccc1
InChIInChI=1S/C23H19NO2/c25-23-24(17-16-18-10-4-1-5-11-18)21(19-12-6-2-7-13-19)22(26-23)20-14-8-3-9-15-20/h1-15H,16-17H2
InChIKeyZBVOAKLFRNPBSU-UHFFFAOYSA-N
MW341.41 g/mol
LogP5.02
Rot. Bonds5

About 4,5-diphenyl-3-(2-phenylethyl)-1,3-oxazol-2-one

4,5-diphenyl-3-(2-phenylethyl)-1,3-oxazol-2-one (PubChem CID 12681028) has the molecular formula C23H19NO2 and a molecular weight of 341.41 g/mol. Its IUPAC name is 4,5-diphenyl-3-(2-phenylethyl)-1,3-oxazol-2-one.

Molecular Properties

Compound Name4,5-diphenyl-3-(2-phenylethyl)-1,3-oxazol-2-one
PubChem CID12681028
Molecular FormulaC23H19NO2
Molecular Weight341.41 g/mol
Exact Mass341.14
IUPAC Name4,5-diphenyl-3-(2-phenylethyl)-1,3-oxazol-2-one
SMILESO=c1oc(-c2ccccc2)c(-c2ccccc2)n1CCc1ccccc1
InChIInChI=1S/C23H19NO2/c25-23-24(17-16-18-10-4-1-5-11-18)21(19-12-6-2-7-13-19)22(26-23)20-14-8-3-9-15-20/h1-15H,16-17H2
InChIKeyZBVOAKLFRNPBSU-UHFFFAOYSA-N
XLogP5.02
TPSA35.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.41
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,5-diphenyl-3-(2-phenylethyl)-1,3-oxazol-2-one?
The IUPAC name of 4,5-diphenyl-3-(2-phenylethyl)-1,3-oxazol-2-one (CID 12681028) is 4,5-diphenyl-3-(2-phenylethyl)-1,3-oxazol-2-one.
What is the SMILES notation for 4,5-diphenyl-3-(2-phenylethyl)-1,3-oxazol-2-one?
The canonical SMILES for 4,5-diphenyl-3-(2-phenylethyl)-1,3-oxazol-2-one is O=c1oc(-c2ccccc2)c(-c2ccccc2)n1CCc1ccccc1.
What is the InChIKey of 4,5-diphenyl-3-(2-phenylethyl)-1,3-oxazol-2-one?
The InChIKey is ZBVOAKLFRNPBSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO2/c25-23-24(17-16-18-10-4-1-5-11-18)21(19-12-6-2-7-13-19)22(26-23)20-14-8-3-9-15-20/h1-15H,16-17H2.
What are the key properties of 4,5-diphenyl-3-(2-phenylethyl)-1,3-oxazol-2-one?
4,5-diphenyl-3-(2-phenylethyl)-1,3-oxazol-2-one has a molecular weight of 341.41 g/mol, XLogP of 5.02, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-diphenyl-3-(2-phenylethyl)-1,3-oxazol-2-one is sourced from PubChem (CID 12681028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).