5-[1-(4-bromophenoxy)propyl]-N-(4-fluorophenyl)-1,3,4-oxadiazol-2-amine

C17H15BrFN3O2 — CID 86766161

IUPAC5-[1-(4-bromophenoxy)propyl]-N-(4-fluorophenyl)-1,3,4-oxadiazol-2-amine
SMILESCCC(Oc1ccc(Br)cc1)c1nnc(Nc2ccc(F)cc2)o1
InChIInChI=1S/C17H15BrFN3O2/c1-2-15(23-14-9-3-11(18)4-10-14)16-21-22-17(24-16)20-13-7-5-12(19)6-8-13/h3-10,15H,2H2,1H3,(H,20,22)
InChIKeyLMBJXUVFEMMYGH-UHFFFAOYSA-N
MW392.23 g/mol
LogP5.24
Rot. Bonds6

About 5-[1-(4-bromophenoxy)propyl]-N-(4-fluorophenyl)-1,3,4-oxadiazol-2-amine

5-[1-(4-bromophenoxy)propyl]-N-(4-fluorophenyl)-1,3,4-oxadiazol-2-amine (PubChem CID 86766161) has the molecular formula C17H15BrFN3O2 and a molecular weight of 392.23 g/mol. Its IUPAC name is 5-[1-(4-bromophenoxy)propyl]-N-(4-fluorophenyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[1-(4-bromophenoxy)propyl]-N-(4-fluorophenyl)-1,3,4-oxadiazol-2-amine
PubChem CID86766161
Molecular FormulaC17H15BrFN3O2
Molecular Weight392.23 g/mol
Exact Mass391.03
IUPAC Name5-[1-(4-bromophenoxy)propyl]-N-(4-fluorophenyl)-1,3,4-oxadiazol-2-amine
SMILESCCC(Oc1ccc(Br)cc1)c1nnc(Nc2ccc(F)cc2)o1
InChIInChI=1S/C17H15BrFN3O2/c1-2-15(23-14-9-3-11(18)4-10-14)16-21-22-17(24-16)20-13-7-5-12(19)6-8-13/h3-10,15H,2H2,1H3,(H,20,22)
InChIKeyLMBJXUVFEMMYGH-UHFFFAOYSA-N
XLogP5.24
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.23
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(4-bromophenoxy)propyl]-N-(4-fluorophenyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[1-(4-bromophenoxy)propyl]-N-(4-fluorophenyl)-1,3,4-oxadiazol-2-amine (CID 86766161) is 5-[1-(4-bromophenoxy)propyl]-N-(4-fluorophenyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[1-(4-bromophenoxy)propyl]-N-(4-fluorophenyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[1-(4-bromophenoxy)propyl]-N-(4-fluorophenyl)-1,3,4-oxadiazol-2-amine is CCC(Oc1ccc(Br)cc1)c1nnc(Nc2ccc(F)cc2)o1.
What is the InChIKey of 5-[1-(4-bromophenoxy)propyl]-N-(4-fluorophenyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is LMBJXUVFEMMYGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrFN3O2/c1-2-15(23-14-9-3-11(18)4-10-14)16-21-22-17(24-16)20-13-7-5-12(19)6-8-13/h3-10,15H,2H2,1H3,(H,20,22).
What are the key properties of 5-[1-(4-bromophenoxy)propyl]-N-(4-fluorophenyl)-1,3,4-oxadiazol-2-amine?
5-[1-(4-bromophenoxy)propyl]-N-(4-fluorophenyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 392.23 g/mol, XLogP of 5.24, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(4-bromophenoxy)propyl]-N-(4-fluorophenyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 86766161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).