5-(4-bromophenyl)-2-(4-chlorophenyl)-1,3-oxazole

C15H9BrClNO — CID 2798251

IUPAC5-(4-bromophenyl)-2-(4-chlorophenyl)-1,3-oxazole
SMILESClc1ccc(-c2ncc(-c3ccc(Br)cc3)o2)cc1
InChIInChI=1S/C15H9BrClNO/c16-12-5-1-10(2-6-12)14-9-18-15(19-14)11-3-7-13(17)8-4-11/h1-9H
InChIKeyVJNRKWQLFIGUPN-UHFFFAOYSA-N
MW334.60 g/mol
LogP5.42
Rot. Bonds2

About 5-(4-bromophenyl)-2-(4-chlorophenyl)-1,3-oxazole

5-(4-bromophenyl)-2-(4-chlorophenyl)-1,3-oxazole (PubChem CID 2798251) has the molecular formula C15H9BrClNO and a molecular weight of 334.60 g/mol. Its IUPAC name is 5-(4-bromophenyl)-2-(4-chlorophenyl)-1,3-oxazole.

Molecular Properties

Compound Name5-(4-bromophenyl)-2-(4-chlorophenyl)-1,3-oxazole
PubChem CID2798251
Molecular FormulaC15H9BrClNO
Molecular Weight334.60 g/mol
Exact Mass332.96
IUPAC Name5-(4-bromophenyl)-2-(4-chlorophenyl)-1,3-oxazole
SMILESClc1ccc(-c2ncc(-c3ccc(Br)cc3)o2)cc1
InChIInChI=1S/C15H9BrClNO/c16-12-5-1-10(2-6-12)14-9-18-15(19-14)11-3-7-13(17)8-4-11/h1-9H
InChIKeyVJNRKWQLFIGUPN-UHFFFAOYSA-N
XLogP5.42
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.60
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-2-(4-chlorophenyl)-1,3-oxazole?
The IUPAC name of 5-(4-bromophenyl)-2-(4-chlorophenyl)-1,3-oxazole (CID 2798251) is 5-(4-bromophenyl)-2-(4-chlorophenyl)-1,3-oxazole.
What is the SMILES notation for 5-(4-bromophenyl)-2-(4-chlorophenyl)-1,3-oxazole?
The canonical SMILES for 5-(4-bromophenyl)-2-(4-chlorophenyl)-1,3-oxazole is Clc1ccc(-c2ncc(-c3ccc(Br)cc3)o2)cc1.
What is the InChIKey of 5-(4-bromophenyl)-2-(4-chlorophenyl)-1,3-oxazole?
The InChIKey is VJNRKWQLFIGUPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrClNO/c16-12-5-1-10(2-6-12)14-9-18-15(19-14)11-3-7-13(17)8-4-11/h1-9H.
What are the key properties of 5-(4-bromophenyl)-2-(4-chlorophenyl)-1,3-oxazole?
5-(4-bromophenyl)-2-(4-chlorophenyl)-1,3-oxazole has a molecular weight of 334.60 g/mol, XLogP of 5.42, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-2-(4-chlorophenyl)-1,3-oxazole is sourced from PubChem (CID 2798251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).