5-[1-(4-chlorophenoxy)ethyl]-N-(4-fluorophenyl)-1,3,4-oxadiazol-2-amine

C16H13ClFN3O2 — CID 86766151

IUPAC5-[1-(4-chlorophenoxy)ethyl]-N-(4-fluorophenyl)-1,3,4-oxadiazol-2-amine
SMILESCC(Oc1ccc(Cl)cc1)c1nnc(Nc2ccc(F)cc2)o1
InChIInChI=1S/C16H13ClFN3O2/c1-10(22-14-8-2-11(17)3-9-14)15-20-21-16(23-15)19-13-6-4-12(18)5-7-13/h2-10H,1H3,(H,19,21)
InChIKeyAOEYXALUEJXLQJ-UHFFFAOYSA-N
MW333.75 g/mol
LogP4.75
Rot. Bonds5

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

5-[1-(4-chlorophenoxy)ethyl]-N-(4-fluorophenyl)-1,3,4-oxadiazol-2-amine (PubChem CID 86766151) has the molecular formula C16H13ClFN3O2 and a molecular weight of 333.75 g/mol. Its IUPAC name is 5-[1-(4-chlorophenoxy)ethyl]-N-(4-fluorophenyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[1-(4-chlorophenoxy)ethyl]-N-(4-fluorophenyl)-1,3,4-oxadiazol-2-amine
PubChem CID86766151
Molecular FormulaC16H13ClFN3O2
Molecular Weight333.75 g/mol
Exact Mass333.07
IUPAC Name5-[1-(4-chlorophenoxy)ethyl]-N-(4-fluorophenyl)-1,3,4-oxadiazol-2-amine
SMILESCC(Oc1ccc(Cl)cc1)c1nnc(Nc2ccc(F)cc2)o1
InChIInChI=1S/C16H13ClFN3O2/c1-10(22-14-8-2-11(17)3-9-14)15-20-21-16(23-15)19-13-6-4-12(18)5-7-13/h2-10H,1H3,(H,19,21)
InChIKeyAOEYXALUEJXLQJ-UHFFFAOYSA-N
XLogP4.75
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.75
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(4-chlorophenoxy)ethyl]-N-(4-fluorophenyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[1-(4-chlorophenoxy)ethyl]-N-(4-fluorophenyl)-1,3,4-oxadiazol-2-amine (CID 86766151) is 5-[1-(4-chlorophenoxy)ethyl]-N-(4-fluorophenyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[1-(4-chlorophenoxy)ethyl]-N-(4-fluorophenyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[1-(4-chlorophenoxy)ethyl]-N-(4-fluorophenyl)-1,3,4-oxadiazol-2-amine is CC(Oc1ccc(Cl)cc1)c1nnc(Nc2ccc(F)cc2)o1.
What is the InChIKey of 5-[1-(4-chlorophenoxy)ethyl]-N-(4-fluorophenyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is AOEYXALUEJXLQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClFN3O2/c1-10(22-14-8-2-11(17)3-9-14)15-20-21-16(23-15)19-13-6-4-12(18)5-7-13/h2-10H,1H3,(H,19,21).
What are the key properties of 5-[1-(4-chlorophenoxy)ethyl]-N-(4-fluorophenyl)-1,3,4-oxadiazol-2-amine?
5-[1-(4-chlorophenoxy)ethyl]-N-(4-fluorophenyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 333.75 g/mol, XLogP of 4.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(4-chlorophenoxy)ethyl]-N-(4-fluorophenyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 86766151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).