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

C15H9BrFNO2 — CID 164686826

IUPAC4-bromo-3-(3-fluorophenyl)-5-phenyl-1,3-oxazol-2-one
SMILESO=c1oc(-c2ccccc2)c(Br)n1-c1cccc(F)c1
InChIInChI=1S/C15H9BrFNO2/c16-14-13(10-5-2-1-3-6-10)20-15(19)18(14)12-8-4-7-11(17)9-12/h1-9H
InChIKeyGLJUQIZPPCCZGU-UHFFFAOYSA-N
MW334.14 g/mol
LogP4.00
Rot. Bonds2

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

4-bromo-3-(3-fluorophenyl)-5-phenyl-1,3-oxazol-2-one (PubChem CID 164686826) has the molecular formula C15H9BrFNO2 and a molecular weight of 334.14 g/mol. Its IUPAC name is 4-bromo-3-(3-fluorophenyl)-5-phenyl-1,3-oxazol-2-one.

Molecular Properties

Compound Name4-bromo-3-(3-fluorophenyl)-5-phenyl-1,3-oxazol-2-one
PubChem CID164686826
Molecular FormulaC15H9BrFNO2
Molecular Weight334.14 g/mol
Exact Mass332.98
IUPAC Name4-bromo-3-(3-fluorophenyl)-5-phenyl-1,3-oxazol-2-one
SMILESO=c1oc(-c2ccccc2)c(Br)n1-c1cccc(F)c1
InChIInChI=1S/C15H9BrFNO2/c16-14-13(10-5-2-1-3-6-10)20-15(19)18(14)12-8-4-7-11(17)9-12/h1-9H
InChIKeyGLJUQIZPPCCZGU-UHFFFAOYSA-N
XLogP4.00
TPSA35.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.14
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-Fluorophenyl)-3-phenyl-1,3-oxazolidin-2-one
CID 137648272
3-(3-Fluorophenyl)-5-(4-fluorophenyl)-1,3-oxazolidin-2-one
CID 137652444
Benzyl phenylcarbamate
CID 319368
(3-Fluorophenyl)carbamic acid benzyl ester
CID 895321
N-(4-bromo-3-fluorophenyl)carbamic acid phenylmethyl ester
CID 67274244
3,5-Diphenyloxazol-2-one
CID 461786
benzyl N-(3-fluoro-2-methylphenyl)carbamate
CID 1518780
5H-Dibenz[b,f]azepine-5-carboxylic acid, 10-methoxy-, methyl ester
CID 11208289
2(3H)-Oxazolone, 3,4,5-triphenyl-
CID 253591
Phenyl-carbamic acid 2,2,2-trifluoro-1-phenyl-ethyl ester
CID 3697950
3-(4-Fluorophenyl)-5-phenyl-1,3-oxazol-2-one
CID 101847272
5-Phenyl-3-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-one
CID 102264524

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-(3-fluorophenyl)-5-phenyl-1,3-oxazol-2-one?
The IUPAC name of 4-bromo-3-(3-fluorophenyl)-5-phenyl-1,3-oxazol-2-one (CID 164686826) is 4-bromo-3-(3-fluorophenyl)-5-phenyl-1,3-oxazol-2-one.
What is the SMILES notation for 4-bromo-3-(3-fluorophenyl)-5-phenyl-1,3-oxazol-2-one?
The canonical SMILES for 4-bromo-3-(3-fluorophenyl)-5-phenyl-1,3-oxazol-2-one is O=c1oc(-c2ccccc2)c(Br)n1-c1cccc(F)c1.
What is the InChIKey of 4-bromo-3-(3-fluorophenyl)-5-phenyl-1,3-oxazol-2-one?
The InChIKey is GLJUQIZPPCCZGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrFNO2/c16-14-13(10-5-2-1-3-6-10)20-15(19)18(14)12-8-4-7-11(17)9-12/h1-9H.
What are the key properties of 4-bromo-3-(3-fluorophenyl)-5-phenyl-1,3-oxazol-2-one?
4-bromo-3-(3-fluorophenyl)-5-phenyl-1,3-oxazol-2-one has a molecular weight of 334.14 g/mol, XLogP of 4.00, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-(3-fluorophenyl)-5-phenyl-1,3-oxazol-2-one is sourced from PubChem (CID 164686826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).