4,4-dibenzyl-2-phenyl-1,3-oxazol-5-one

C23H19NO2 — CID 11244749

IUPAC4,4-dibenzyl-2-phenyl-1,3-oxazol-5-one
SMILESO=C1OC(c2ccccc2)=NC1(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C23H19NO2/c25-22-23(16-18-10-4-1-5-11-18,17-19-12-6-2-7-13-19)24-21(26-22)20-14-8-3-9-15-20/h1-15H,16-17H2
InChIKeyOWFMOQDESWDIDL-UHFFFAOYSA-N
MW341.41 g/mol
LogP4.21
Rot. Bonds5

About 4,4-dibenzyl-2-phenyl-1,3-oxazol-5-one

4,4-dibenzyl-2-phenyl-1,3-oxazol-5-one (PubChem CID 11244749) has the molecular formula C23H19NO2 and a molecular weight of 341.41 g/mol. Its IUPAC name is 4,4-dibenzyl-2-phenyl-1,3-oxazol-5-one.

Molecular Properties

Compound Name4,4-dibenzyl-2-phenyl-1,3-oxazol-5-one
PubChem CID11244749
Molecular FormulaC23H19NO2
Molecular Weight341.41 g/mol
Exact Mass341.14
IUPAC Name4,4-dibenzyl-2-phenyl-1,3-oxazol-5-one
SMILESO=C1OC(c2ccccc2)=NC1(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C23H19NO2/c25-22-23(16-18-10-4-1-5-11-18,17-19-12-6-2-7-13-19)24-21(26-22)20-14-8-3-9-15-20/h1-15H,16-17H2
InChIKeyOWFMOQDESWDIDL-UHFFFAOYSA-N
XLogP4.21
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 ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,4-dibenzyl-2-phenyl-1,3-oxazol-5-one?
The IUPAC name of 4,4-dibenzyl-2-phenyl-1,3-oxazol-5-one (CID 11244749) is 4,4-dibenzyl-2-phenyl-1,3-oxazol-5-one.
What is the SMILES notation for 4,4-dibenzyl-2-phenyl-1,3-oxazol-5-one?
The canonical SMILES for 4,4-dibenzyl-2-phenyl-1,3-oxazol-5-one is O=C1OC(c2ccccc2)=NC1(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of 4,4-dibenzyl-2-phenyl-1,3-oxazol-5-one?
The InChIKey is OWFMOQDESWDIDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO2/c25-22-23(16-18-10-4-1-5-11-18,17-19-12-6-2-7-13-19)24-21(26-22)20-14-8-3-9-15-20/h1-15H,16-17H2.
What are the key properties of 4,4-dibenzyl-2-phenyl-1,3-oxazol-5-one?
4,4-dibenzyl-2-phenyl-1,3-oxazol-5-one has a molecular weight of 341.41 g/mol, XLogP of 4.21, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dibenzyl-2-phenyl-1,3-oxazol-5-one is sourced from PubChem (CID 11244749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).