4-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-amine

C10H6FN5O2 — CID 686418

IUPAC4-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-amine
SMILESNc1nonc1-c1noc(-c2ccccc2F)n1
InChIInChI=1S/C10H6FN5O2/c11-6-4-2-1-3-5(6)10-13-9(16-17-10)7-8(12)15-18-14-7/h1-4H,(H2,12,15)
InChIKeyUACHPVCOIODKBC-UHFFFAOYSA-N
MW247.19 g/mol
LogP1.51
Rot. Bonds2

About 4-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-amine

4-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-amine (PubChem CID 686418) has the molecular formula C10H6FN5O2 and a molecular weight of 247.19 g/mol. Its IUPAC name is 4-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-amine.

Molecular Properties

Compound Name4-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-amine
PubChem CID686418
Molecular FormulaC10H6FN5O2
Molecular Weight247.19 g/mol
Exact Mass247.05
IUPAC Name4-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-amine
SMILESNc1nonc1-c1noc(-c2ccccc2F)n1
InChIInChI=1S/C10H6FN5O2/c11-6-4-2-1-3-5(6)10-13-9(16-17-10)7-8(12)15-18-14-7/h1-4H,(H2,12,15)
InChIKeyUACHPVCOIODKBC-UHFFFAOYSA-N
XLogP1.51
TPSA103.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.19
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-amine?
The IUPAC name of 4-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-amine (CID 686418) is 4-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-amine.
What is the SMILES notation for 4-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-amine?
The canonical SMILES for 4-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-amine is Nc1nonc1-c1noc(-c2ccccc2F)n1.
What is the InChIKey of 4-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-amine?
The InChIKey is UACHPVCOIODKBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6FN5O2/c11-6-4-2-1-3-5(6)10-13-9(16-17-10)7-8(12)15-18-14-7/h1-4H,(H2,12,15).
What are the key properties of 4-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-amine?
4-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-amine has a molecular weight of 247.19 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-amine is sourced from PubChem (CID 686418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).