5-bromo-4-(4-chlorophenyl)-1,2-oxazole

C9H5BrClNO — CID 84709531

IUPAC5-bromo-4-(4-chlorophenyl)-1,2-oxazole
SMILESClc1ccc(-c2cnoc2Br)cc1
InChIInChI=1S/C9H5BrClNO/c10-9-8(5-12-13-9)6-1-3-7(11)4-2-6/h1-5H
InChIKeyRAYAGRMKZFRPRR-UHFFFAOYSA-N
MW258.50 g/mol
LogP3.76
Rot. Bonds1

About 5-bromo-4-(4-chlorophenyl)-1,2-oxazole

5-bromo-4-(4-chlorophenyl)-1,2-oxazole (PubChem CID 84709531) has the molecular formula C9H5BrClNO and a molecular weight of 258.50 g/mol. Its IUPAC name is 5-bromo-4-(4-chlorophenyl)-1,2-oxazole.

Molecular Properties

Compound Name5-bromo-4-(4-chlorophenyl)-1,2-oxazole
PubChem CID84709531
Molecular FormulaC9H5BrClNO
Molecular Weight258.50 g/mol
Exact Mass256.92
IUPAC Name5-bromo-4-(4-chlorophenyl)-1,2-oxazole
SMILESClc1ccc(-c2cnoc2Br)cc1
InChIInChI=1S/C9H5BrClNO/c10-9-8(5-12-13-9)6-1-3-7(11)4-2-6/h1-5H
InChIKeyRAYAGRMKZFRPRR-UHFFFAOYSA-N
XLogP3.76
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.50
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-4-(3-fluorophenyl)-1,2-oxazole
CID 84703029
4-(5-chloro-1,2-oxazol-4-yl)phenol
CID 84666525
1-(4-chlorophenyl)-3-[4-(4-chlorophenyl)-1,2-oxazol-5-yl]urea
CID 110402543
[5-(4-chlorophenyl)-1,2-oxazol-4-yl]methanol
CID 97032664
3-[4-(4-chlorophenyl)-1,2-oxazol-5-yl]-1,1-dimethylurea
CID 110402559
1-[4-(4-chlorophenyl)-1,2-oxazol-5-yl]-3-phenylurea
CID 110402542
5-(4-chlorophenyl)-4-(2,3,4,5-tetramethoxyphenyl)-1,2-oxazole
CID 58178294
N-[4-(4-chlorophenyl)-1,2-oxazol-5-yl]-1-phenylmethanesulfonamide
CID 110402597
1-bromo-4-[4-(4-chlorophenyl)phenyl]benzene
CID 151204294
N-[4-(4-chlorophenyl)-1,2-oxazol-5-yl]-2-methoxybenzamide
CID 110402522
1-[4-(4-chlorophenyl)-1,2-oxazol-5-yl]-3-(4-methylphenyl)sulfonylurea
CID 110402562
1-chloro-4-(4-chlorophenyl)benzene;ruthenium
CID 159976594

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(4-chlorophenyl)-1,2-oxazole?
The IUPAC name of 5-bromo-4-(4-chlorophenyl)-1,2-oxazole (CID 84709531) is 5-bromo-4-(4-chlorophenyl)-1,2-oxazole.
What is the SMILES notation for 5-bromo-4-(4-chlorophenyl)-1,2-oxazole?
The canonical SMILES for 5-bromo-4-(4-chlorophenyl)-1,2-oxazole is Clc1ccc(-c2cnoc2Br)cc1.
What is the InChIKey of 5-bromo-4-(4-chlorophenyl)-1,2-oxazole?
The InChIKey is RAYAGRMKZFRPRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5BrClNO/c10-9-8(5-12-13-9)6-1-3-7(11)4-2-6/h1-5H.
What are the key properties of 5-bromo-4-(4-chlorophenyl)-1,2-oxazole?
5-bromo-4-(4-chlorophenyl)-1,2-oxazole has a molecular weight of 258.50 g/mol, XLogP of 3.76, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(4-chlorophenyl)-1,2-oxazole is sourced from PubChem (CID 84709531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).