5-(3-bromo-4,5-dihydro-1,2-oxazol-5-yl)-3-(4-fluorophenyl)-1,2,4-oxadiazole

C11H7BrFN3O2 — CID 164618862

IUPAC5-(3-bromo-4,5-dihydro-1,2-oxazol-5-yl)-3-(4-fluorophenyl)-1,2,4-oxadiazole
SMILESFc1ccc(-c2noc(C3CC(Br)=NO3)n2)cc1
InChIInChI=1S/C11H7BrFN3O2/c12-9-5-8(17-15-9)11-14-10(16-18-11)6-1-3-7(13)4-2-6/h1-4,8H,5H2
InChIKeyLXTVSNROJVZILL-UHFFFAOYSA-N
MW312.10 g/mol
LogP3.05
Rot. Bonds2

About 5-(3-bromo-4,5-dihydro-1,2-oxazol-5-yl)-3-(4-fluorophenyl)-1,2,4-oxadiazole

5-(3-bromo-4,5-dihydro-1,2-oxazol-5-yl)-3-(4-fluorophenyl)-1,2,4-oxadiazole (PubChem CID 164618862) has the molecular formula C11H7BrFN3O2 and a molecular weight of 312.10 g/mol. Its IUPAC name is 5-(3-bromo-4,5-dihydro-1,2-oxazol-5-yl)-3-(4-fluorophenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(3-bromo-4,5-dihydro-1,2-oxazol-5-yl)-3-(4-fluorophenyl)-1,2,4-oxadiazole
PubChem CID164618862
Molecular FormulaC11H7BrFN3O2
Molecular Weight312.10 g/mol
Exact Mass310.97
IUPAC Name5-(3-bromo-4,5-dihydro-1,2-oxazol-5-yl)-3-(4-fluorophenyl)-1,2,4-oxadiazole
SMILESFc1ccc(-c2noc(C3CC(Br)=NO3)n2)cc1
InChIInChI=1S/C11H7BrFN3O2/c12-9-5-8(17-15-9)11-14-10(16-18-11)6-1-3-7(13)4-2-6/h1-4,8H,5H2
InChIKeyLXTVSNROJVZILL-UHFFFAOYSA-N
XLogP3.05
TPSA60.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.10
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3-bromo-4,5-dihydro-1,2-oxazol-5-yl)-3-(4-fluorophenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(3-bromo-4,5-dihydro-1,2-oxazol-5-yl)-3-(4-fluorophenyl)-1,2,4-oxadiazole (CID 164618862) is 5-(3-bromo-4,5-dihydro-1,2-oxazol-5-yl)-3-(4-fluorophenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(3-bromo-4,5-dihydro-1,2-oxazol-5-yl)-3-(4-fluorophenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(3-bromo-4,5-dihydro-1,2-oxazol-5-yl)-3-(4-fluorophenyl)-1,2,4-oxadiazole is Fc1ccc(-c2noc(C3CC(Br)=NO3)n2)cc1.
What is the InChIKey of 5-(3-bromo-4,5-dihydro-1,2-oxazol-5-yl)-3-(4-fluorophenyl)-1,2,4-oxadiazole?
The InChIKey is LXTVSNROJVZILL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrFN3O2/c12-9-5-8(17-15-9)11-14-10(16-18-11)6-1-3-7(13)4-2-6/h1-4,8H,5H2.
What are the key properties of 5-(3-bromo-4,5-dihydro-1,2-oxazol-5-yl)-3-(4-fluorophenyl)-1,2,4-oxadiazole?
5-(3-bromo-4,5-dihydro-1,2-oxazol-5-yl)-3-(4-fluorophenyl)-1,2,4-oxadiazole has a molecular weight of 312.10 g/mol, XLogP of 3.05, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromo-4,5-dihydro-1,2-oxazol-5-yl)-3-(4-fluorophenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 164618862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).