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

C15H10BrNO — CID 835944

IUPAC5-(4-bromophenyl)-3-phenyl-1,2-oxazole
SMILESBrc1ccc(-c2cc(-c3ccccc3)no2)cc1
InChIInChI=1S/C15H10BrNO/c16-13-8-6-12(7-9-13)15-10-14(17-18-15)11-4-2-1-3-5-11/h1-10H
InChIKeyZOBQWQDCDGXWAE-UHFFFAOYSA-N
MW300.16 g/mol
LogP4.77
Rot. Bonds2

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

5-(4-bromophenyl)-3-phenyl-1,2-oxazole (PubChem CID 835944) has the molecular formula C15H10BrNO and a molecular weight of 300.16 g/mol. Its IUPAC name is 5-(4-bromophenyl)-3-phenyl-1,2-oxazole.

Molecular Properties

Compound Name5-(4-bromophenyl)-3-phenyl-1,2-oxazole
PubChem CID835944
Molecular FormulaC15H10BrNO
Molecular Weight300.16 g/mol
Exact Mass298.99
IUPAC Name5-(4-bromophenyl)-3-phenyl-1,2-oxazole
SMILESBrc1ccc(-c2cc(-c3ccccc3)no2)cc1
InChIInChI=1S/C15H10BrNO/c16-13-8-6-12(7-9-13)15-10-14(17-18-15)11-4-2-1-3-5-11/h1-10H
InChIKeyZOBQWQDCDGXWAE-UHFFFAOYSA-N
XLogP4.77
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.16
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-3-phenyl-1,2-oxazole?
The IUPAC name of 5-(4-bromophenyl)-3-phenyl-1,2-oxazole (CID 835944) is 5-(4-bromophenyl)-3-phenyl-1,2-oxazole.
What is the SMILES notation for 5-(4-bromophenyl)-3-phenyl-1,2-oxazole?
The canonical SMILES for 5-(4-bromophenyl)-3-phenyl-1,2-oxazole is Brc1ccc(-c2cc(-c3ccccc3)no2)cc1.
What is the InChIKey of 5-(4-bromophenyl)-3-phenyl-1,2-oxazole?
The InChIKey is ZOBQWQDCDGXWAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrNO/c16-13-8-6-12(7-9-13)15-10-14(17-18-15)11-4-2-1-3-5-11/h1-10H.
What are the key properties of 5-(4-bromophenyl)-3-phenyl-1,2-oxazole?
5-(4-bromophenyl)-3-phenyl-1,2-oxazole has a molecular weight of 300.16 g/mol, XLogP of 4.77, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-3-phenyl-1,2-oxazole is sourced from PubChem (CID 835944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).