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

C21H14BrNO — CID 71327927

IUPAC5-(4-bromophenyl)-2-(4-phenylphenyl)-1,3-oxazole
SMILESBrc1ccc(-c2cnc(-c3ccc(-c4ccccc4)cc3)o2)cc1
InChIInChI=1S/C21H14BrNO/c22-19-12-10-17(11-13-19)20-14-23-21(24-20)18-8-6-16(7-9-18)15-4-2-1-3-5-15/h1-14H
InChIKeyCNVRGWFBNJKPHL-UHFFFAOYSA-N
MW376.25 g/mol
LogP6.44
Rot. Bonds3

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

5-(4-bromophenyl)-2-(4-phenylphenyl)-1,3-oxazole (PubChem CID 71327927) has the molecular formula C21H14BrNO and a molecular weight of 376.25 g/mol. Its IUPAC name is 5-(4-bromophenyl)-2-(4-phenylphenyl)-1,3-oxazole.

Molecular Properties

Compound Name5-(4-bromophenyl)-2-(4-phenylphenyl)-1,3-oxazole
PubChem CID71327927
Molecular FormulaC21H14BrNO
Molecular Weight376.25 g/mol
Exact Mass375.03
IUPAC Name5-(4-bromophenyl)-2-(4-phenylphenyl)-1,3-oxazole
SMILESBrc1ccc(-c2cnc(-c3ccc(-c4ccccc4)cc3)o2)cc1
InChIInChI=1S/C21H14BrNO/c22-19-12-10-17(11-13-19)20-14-23-21(24-20)18-8-6-16(7-9-18)15-4-2-1-3-5-15/h1-14H
InChIKeyCNVRGWFBNJKPHL-UHFFFAOYSA-N
XLogP6.44
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.25
LogP ≤ 56.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-(4-bromophenyl)-2-(4-phenylphenyl)-1,3-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-2-(4-phenylphenyl)-1,3-oxazole?
The IUPAC name of 5-(4-bromophenyl)-2-(4-phenylphenyl)-1,3-oxazole (CID 71327927) is 5-(4-bromophenyl)-2-(4-phenylphenyl)-1,3-oxazole.
What is the SMILES notation for 5-(4-bromophenyl)-2-(4-phenylphenyl)-1,3-oxazole?
The canonical SMILES for 5-(4-bromophenyl)-2-(4-phenylphenyl)-1,3-oxazole is Brc1ccc(-c2cnc(-c3ccc(-c4ccccc4)cc3)o2)cc1.
What is the InChIKey of 5-(4-bromophenyl)-2-(4-phenylphenyl)-1,3-oxazole?
The InChIKey is CNVRGWFBNJKPHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14BrNO/c22-19-12-10-17(11-13-19)20-14-23-21(24-20)18-8-6-16(7-9-18)15-4-2-1-3-5-15/h1-14H.
What are the key properties of 5-(4-bromophenyl)-2-(4-phenylphenyl)-1,3-oxazole?
5-(4-bromophenyl)-2-(4-phenylphenyl)-1,3-oxazole has a molecular weight of 376.25 g/mol, XLogP of 6.44, 3 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-phenylphenyl)-1,3-oxazole is sourced from PubChem (CID 71327927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).