2-(3,5-diphenyl-4H-1,2-oxazol-5-yl)-1-phenylethanone

C23H19NO2 — CID 613689

IUPAC2-(3,5-diphenyl-4H-1,2-oxazol-5-yl)-1-phenylethanone
SMILESO=C(CC1(c2ccccc2)CC(c2ccccc2)=NO1)c1ccccc1
InChIInChI=1S/C23H19NO2/c25-22(19-12-6-2-7-13-19)17-23(20-14-8-3-9-15-20)16-21(24-26-23)18-10-4-1-5-11-18/h1-15H,16-17H2
InChIKeyDXTKIPMJDWESNQ-UHFFFAOYSA-N
MW341.41 g/mol
LogP4.98
Rot. Bonds5

About 2-(3,5-diphenyl-4H-1,2-oxazol-5-yl)-1-phenylethanone

2-(3,5-diphenyl-4H-1,2-oxazol-5-yl)-1-phenylethanone (PubChem CID 613689) has the molecular formula C23H19NO2 and a molecular weight of 341.41 g/mol. Its IUPAC name is 2-(3,5-diphenyl-4H-1,2-oxazol-5-yl)-1-phenylethanone.

Molecular Properties

Compound Name2-(3,5-diphenyl-4H-1,2-oxazol-5-yl)-1-phenylethanone
PubChem CID613689
Molecular FormulaC23H19NO2
Molecular Weight341.41 g/mol
Exact Mass341.14
IUPAC Name2-(3,5-diphenyl-4H-1,2-oxazol-5-yl)-1-phenylethanone
SMILESO=C(CC1(c2ccccc2)CC(c2ccccc2)=NO1)c1ccccc1
InChIInChI=1S/C23H19NO2/c25-22(19-12-6-2-7-13-19)17-23(20-14-8-3-9-15-20)16-21(24-26-23)18-10-4-1-5-11-18/h1-15H,16-17H2
InChIKeyDXTKIPMJDWESNQ-UHFFFAOYSA-N
XLogP4.98
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-diphenyl-4H-1,2-oxazol-5-yl)-1-phenylethanone?
The IUPAC name of 2-(3,5-diphenyl-4H-1,2-oxazol-5-yl)-1-phenylethanone (CID 613689) is 2-(3,5-diphenyl-4H-1,2-oxazol-5-yl)-1-phenylethanone.
What is the SMILES notation for 2-(3,5-diphenyl-4H-1,2-oxazol-5-yl)-1-phenylethanone?
The canonical SMILES for 2-(3,5-diphenyl-4H-1,2-oxazol-5-yl)-1-phenylethanone is O=C(CC1(c2ccccc2)CC(c2ccccc2)=NO1)c1ccccc1.
What is the InChIKey of 2-(3,5-diphenyl-4H-1,2-oxazol-5-yl)-1-phenylethanone?
The InChIKey is DXTKIPMJDWESNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO2/c25-22(19-12-6-2-7-13-19)17-23(20-14-8-3-9-15-20)16-21(24-26-23)18-10-4-1-5-11-18/h1-15H,16-17H2.
What are the key properties of 2-(3,5-diphenyl-4H-1,2-oxazol-5-yl)-1-phenylethanone?
2-(3,5-diphenyl-4H-1,2-oxazol-5-yl)-1-phenylethanone has a molecular weight of 341.41 g/mol, XLogP of 4.98, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-diphenyl-4H-1,2-oxazol-5-yl)-1-phenylethanone is sourced from PubChem (CID 613689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).