4-bromo-3-(4-bromophenyl)-5-phenyl-1,3-oxazol-2-one

C15H9Br2NO2 — CID 164684853

IUPAC4-bromo-3-(4-bromophenyl)-5-phenyl-1,3-oxazol-2-one
SMILESO=c1oc(-c2ccccc2)c(Br)n1-c1ccc(Br)cc1
InChIInChI=1S/C15H9Br2NO2/c16-11-6-8-12(9-7-11)18-14(17)13(20-15(18)19)10-4-2-1-3-5-10/h1-9H
InChIKeyRCHRRZSMJTWBOT-UHFFFAOYSA-N
MW395.05 g/mol
LogP4.62
Rot. Bonds2

About 4-bromo-3-(4-bromophenyl)-5-phenyl-1,3-oxazol-2-one

4-bromo-3-(4-bromophenyl)-5-phenyl-1,3-oxazol-2-one (PubChem CID 164684853) has the molecular formula C15H9Br2NO2 and a molecular weight of 395.05 g/mol. Its IUPAC name is 4-bromo-3-(4-bromophenyl)-5-phenyl-1,3-oxazol-2-one.

Molecular Properties

Compound Name4-bromo-3-(4-bromophenyl)-5-phenyl-1,3-oxazol-2-one
PubChem CID164684853
Molecular FormulaC15H9Br2NO2
Molecular Weight395.05 g/mol
Exact Mass392.90
IUPAC Name4-bromo-3-(4-bromophenyl)-5-phenyl-1,3-oxazol-2-one
SMILESO=c1oc(-c2ccccc2)c(Br)n1-c1ccc(Br)cc1
InChIInChI=1S/C15H9Br2NO2/c16-11-6-8-12(9-7-11)18-14(17)13(20-15(18)19)10-4-2-1-3-5-10/h1-9H
InChIKeyRCHRRZSMJTWBOT-UHFFFAOYSA-N
XLogP4.62
TPSA35.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.05
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-3,5-diphenyl-1,3-oxazol-2-one
CID 134935741
5-methyl-3,6-diphenyl-1,3-oxazine-2,4-dione
CID 13219285
3-benzyl-4-bromo-5-phenyl-1,3-oxazol-2-one
CID 164685094
3-(4-ethoxyphenyl)-4,5-diphenyl-1,3-oxazol-2-one
CID 95170020
6-(4-bromophenyl)benzo[d][2]benzazepine-5,7-dione
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3-benzyl-4-(4-bromophenyl)-5-phenyl-1,3-oxazol-2-one
CID 71513508
1-(4-bromophenyl)-3-phenyl-2-benzofuran
CID 59538643
1,3,5-tris(4-bromophenyl)-1,3,5-triazinane-2,4,6-trione
CID 10746029
1-(4-bromophenyl)-2-methyl-5-phenylpyrrole-3-carbaldehyde
CID 4772525
3-(4-bromophenyl)-5-phenoxy-1,3,4-oxadiazol-2-one
CID 15077831
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CID 102169245
2,3-bis(4-bromophenyl)quinazolin-4-one
CID 3707353

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-(4-bromophenyl)-5-phenyl-1,3-oxazol-2-one?
The IUPAC name of 4-bromo-3-(4-bromophenyl)-5-phenyl-1,3-oxazol-2-one (CID 164684853) is 4-bromo-3-(4-bromophenyl)-5-phenyl-1,3-oxazol-2-one.
What is the SMILES notation for 4-bromo-3-(4-bromophenyl)-5-phenyl-1,3-oxazol-2-one?
The canonical SMILES for 4-bromo-3-(4-bromophenyl)-5-phenyl-1,3-oxazol-2-one is O=c1oc(-c2ccccc2)c(Br)n1-c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-3-(4-bromophenyl)-5-phenyl-1,3-oxazol-2-one?
The InChIKey is RCHRRZSMJTWBOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Br2NO2/c16-11-6-8-12(9-7-11)18-14(17)13(20-15(18)19)10-4-2-1-3-5-10/h1-9H.
What are the key properties of 4-bromo-3-(4-bromophenyl)-5-phenyl-1,3-oxazol-2-one?
4-bromo-3-(4-bromophenyl)-5-phenyl-1,3-oxazol-2-one has a molecular weight of 395.05 g/mol, XLogP of 4.62, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-(4-bromophenyl)-5-phenyl-1,3-oxazol-2-one is sourced from PubChem (CID 164684853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).