4-bromo-3,5-diphenyl-1,2-oxazole

C15H10BrNO — CID 570294

IUPAC4-bromo-3,5-diphenyl-1,2-oxazole
SMILESBrc1c(-c2ccccc2)noc1-c1ccccc1
InChIInChI=1S/C15H10BrNO/c16-13-14(11-7-3-1-4-8-11)17-18-15(13)12-9-5-2-6-10-12/h1-10H
InChIKeyKBTBIQOIEHEJNM-UHFFFAOYSA-N
MW300.16 g/mol
LogP4.77
Rot. Bonds2

About 4-bromo-3,5-diphenyl-1,2-oxazole

4-bromo-3,5-diphenyl-1,2-oxazole (PubChem CID 570294) has the molecular formula C15H10BrNO and a molecular weight of 300.16 g/mol. Its IUPAC name is 4-bromo-3,5-diphenyl-1,2-oxazole.

Molecular Properties

Compound Name4-bromo-3,5-diphenyl-1,2-oxazole
PubChem CID570294
Molecular FormulaC15H10BrNO
Molecular Weight300.16 g/mol
Exact Mass298.99
IUPAC Name4-bromo-3,5-diphenyl-1,2-oxazole
SMILESBrc1c(-c2ccccc2)noc1-c1ccccc1
InChIInChI=1S/C15H10BrNO/c16-13-14(11-7-3-1-4-8-11)17-18-15(13)12-9-5-2-6-10-12/h1-10H
InChIKeyKBTBIQOIEHEJNM-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 4-bromo-3,5-diphenyl-1,2-oxazole?
The IUPAC name of 4-bromo-3,5-diphenyl-1,2-oxazole (CID 570294) is 4-bromo-3,5-diphenyl-1,2-oxazole.
What is the SMILES notation for 4-bromo-3,5-diphenyl-1,2-oxazole?
The canonical SMILES for 4-bromo-3,5-diphenyl-1,2-oxazole is Brc1c(-c2ccccc2)noc1-c1ccccc1.
What is the InChIKey of 4-bromo-3,5-diphenyl-1,2-oxazole?
The InChIKey is KBTBIQOIEHEJNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrNO/c16-13-14(11-7-3-1-4-8-11)17-18-15(13)12-9-5-2-6-10-12/h1-10H.
What are the key properties of 4-bromo-3,5-diphenyl-1,2-oxazole?
4-bromo-3,5-diphenyl-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 4-bromo-3,5-diphenyl-1,2-oxazole is sourced from PubChem (CID 570294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).