5-bromo-2-tert-butyl-4-(2,4-difluorophenyl)-1,3-oxazole

C13H12BrF2NO — CID 66869029

IUPAC5-bromo-2-tert-butyl-4-(2,4-difluorophenyl)-1,3-oxazole
SMILESCC(C)(C)c1nc(-c2ccc(F)cc2F)c(Br)o1
InChIInChI=1S/C13H12BrF2NO/c1-13(2,3)12-17-10(11(14)18-12)8-5-4-7(15)6-9(8)16/h4-6H,1-3H3
InChIKeyVSRZLGHNPGJQEH-UHFFFAOYSA-N
MW316.15 g/mol
LogP4.68
Rot. Bonds1

About 5-bromo-2-tert-butyl-4-(2,4-difluorophenyl)-1,3-oxazole

5-bromo-2-tert-butyl-4-(2,4-difluorophenyl)-1,3-oxazole (PubChem CID 66869029) has the molecular formula C13H12BrF2NO and a molecular weight of 316.15 g/mol. Its IUPAC name is 5-bromo-2-tert-butyl-4-(2,4-difluorophenyl)-1,3-oxazole.

Molecular Properties

Compound Name5-bromo-2-tert-butyl-4-(2,4-difluorophenyl)-1,3-oxazole
PubChem CID66869029
Molecular FormulaC13H12BrF2NO
Molecular Weight316.15 g/mol
Exact Mass315.01
IUPAC Name5-bromo-2-tert-butyl-4-(2,4-difluorophenyl)-1,3-oxazole
SMILESCC(C)(C)c1nc(-c2ccc(F)cc2F)c(Br)o1
InChIInChI=1S/C13H12BrF2NO/c1-13(2,3)12-17-10(11(14)18-12)8-5-4-7(15)6-9(8)16/h4-6H,1-3H3
InChIKeyVSRZLGHNPGJQEH-UHFFFAOYSA-N
XLogP4.68
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.15
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-tert-butyl-4-(2,4-difluorophenyl)-1,3-oxazole?
The IUPAC name of 5-bromo-2-tert-butyl-4-(2,4-difluorophenyl)-1,3-oxazole (CID 66869029) is 5-bromo-2-tert-butyl-4-(2,4-difluorophenyl)-1,3-oxazole.
What is the SMILES notation for 5-bromo-2-tert-butyl-4-(2,4-difluorophenyl)-1,3-oxazole?
The canonical SMILES for 5-bromo-2-tert-butyl-4-(2,4-difluorophenyl)-1,3-oxazole is CC(C)(C)c1nc(-c2ccc(F)cc2F)c(Br)o1.
What is the InChIKey of 5-bromo-2-tert-butyl-4-(2,4-difluorophenyl)-1,3-oxazole?
The InChIKey is VSRZLGHNPGJQEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrF2NO/c1-13(2,3)12-17-10(11(14)18-12)8-5-4-7(15)6-9(8)16/h4-6H,1-3H3.
What are the key properties of 5-bromo-2-tert-butyl-4-(2,4-difluorophenyl)-1,3-oxazole?
5-bromo-2-tert-butyl-4-(2,4-difluorophenyl)-1,3-oxazole has a molecular weight of 316.15 g/mol, XLogP of 4.68, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-tert-butyl-4-(2,4-difluorophenyl)-1,3-oxazole is sourced from PubChem (CID 66869029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).