2-bromo-5-(2-chlorophenyl)-1,3-oxazole

C9H5BrClNO — CID 117259589

IUPAC2-bromo-5-(2-chlorophenyl)-1,3-oxazole
SMILESClc1ccccc1-c1cnc(Br)o1
InChIInChI=1S/C9H5BrClNO/c10-9-12-5-8(13-9)6-3-1-2-4-7(6)11/h1-5H
InChIKeyXXUCVRPBSUALPB-UHFFFAOYSA-N
MW258.50 g/mol
LogP3.76
Rot. Bonds1

About 2-bromo-5-(2-chlorophenyl)-1,3-oxazole

2-bromo-5-(2-chlorophenyl)-1,3-oxazole (PubChem CID 117259589) has the molecular formula C9H5BrClNO and a molecular weight of 258.50 g/mol. Its IUPAC name is 2-bromo-5-(2-chlorophenyl)-1,3-oxazole.

Molecular Properties

Compound Name2-bromo-5-(2-chlorophenyl)-1,3-oxazole
PubChem CID117259589
Molecular FormulaC9H5BrClNO
Molecular Weight258.50 g/mol
Exact Mass256.92
IUPAC Name2-bromo-5-(2-chlorophenyl)-1,3-oxazole
SMILESClc1ccccc1-c1cnc(Br)o1
InChIInChI=1S/C9H5BrClNO/c10-9-12-5-8(13-9)6-3-1-2-4-7(6)11/h1-5H
InChIKeyXXUCVRPBSUALPB-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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Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(2-chlorophenyl)-1,3-oxazole?
The IUPAC name of 2-bromo-5-(2-chlorophenyl)-1,3-oxazole (CID 117259589) is 2-bromo-5-(2-chlorophenyl)-1,3-oxazole.
What is the SMILES notation for 2-bromo-5-(2-chlorophenyl)-1,3-oxazole?
The canonical SMILES for 2-bromo-5-(2-chlorophenyl)-1,3-oxazole is Clc1ccccc1-c1cnc(Br)o1.
What is the InChIKey of 2-bromo-5-(2-chlorophenyl)-1,3-oxazole?
The InChIKey is XXUCVRPBSUALPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5BrClNO/c10-9-12-5-8(13-9)6-3-1-2-4-7(6)11/h1-5H.
What are the key properties of 2-bromo-5-(2-chlorophenyl)-1,3-oxazole?
2-bromo-5-(2-chlorophenyl)-1,3-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 2-bromo-5-(2-chlorophenyl)-1,3-oxazole is sourced from PubChem (CID 117259589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).