3-bromo-2,4-diphenyl-1,2-oxazol-5-one

C15H10BrNO2 — CID 2750874

IUPAC3-bromo-2,4-diphenyl-1,2-oxazol-5-one
SMILESO=c1on(-c2ccccc2)c(Br)c1-c1ccccc1
InChIInChI=1S/C15H10BrNO2/c16-14-13(11-7-3-1-4-8-11)15(18)19-17(14)12-9-5-2-6-10-12/h1-10H
InChIKeyYIACTRJGUPUCCC-UHFFFAOYSA-N
MW316.15 g/mol
LogP3.86
Rot. Bonds2

About 3-bromo-2,4-diphenyl-1,2-oxazol-5-one

3-bromo-2,4-diphenyl-1,2-oxazol-5-one (PubChem CID 2750874) has the molecular formula C15H10BrNO2 and a molecular weight of 316.15 g/mol. Its IUPAC name is 3-bromo-2,4-diphenyl-1,2-oxazol-5-one.

Molecular Properties

Compound Name3-bromo-2,4-diphenyl-1,2-oxazol-5-one
PubChem CID2750874
Molecular FormulaC15H10BrNO2
Molecular Weight316.15 g/mol
Exact Mass314.99
IUPAC Name3-bromo-2,4-diphenyl-1,2-oxazol-5-one
SMILESO=c1on(-c2ccccc2)c(Br)c1-c1ccccc1
InChIInChI=1S/C15H10BrNO2/c16-14-13(11-7-3-1-4-8-11)15(18)19-17(14)12-9-5-2-6-10-12/h1-10H
InChIKeyYIACTRJGUPUCCC-UHFFFAOYSA-N
XLogP3.86
TPSA35.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.15
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-2,4-diphenyl-1,2-oxazol-5-one?
The IUPAC name of 3-bromo-2,4-diphenyl-1,2-oxazol-5-one (CID 2750874) is 3-bromo-2,4-diphenyl-1,2-oxazol-5-one.
What is the SMILES notation for 3-bromo-2,4-diphenyl-1,2-oxazol-5-one?
The canonical SMILES for 3-bromo-2,4-diphenyl-1,2-oxazol-5-one is O=c1on(-c2ccccc2)c(Br)c1-c1ccccc1.
What is the InChIKey of 3-bromo-2,4-diphenyl-1,2-oxazol-5-one?
The InChIKey is YIACTRJGUPUCCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrNO2/c16-14-13(11-7-3-1-4-8-11)15(18)19-17(14)12-9-5-2-6-10-12/h1-10H.
What are the key properties of 3-bromo-2,4-diphenyl-1,2-oxazol-5-one?
3-bromo-2,4-diphenyl-1,2-oxazol-5-one has a molecular weight of 316.15 g/mol, XLogP of 3.86, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2,4-diphenyl-1,2-oxazol-5-one is sourced from PubChem (CID 2750874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).