4-[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-amine

C10H5F2N5O2 — CID 686448

IUPAC4-[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-amine
SMILESNc1nonc1-c1noc(-c2c(F)cccc2F)n1
InChIInChI=1S/C10H5F2N5O2/c11-4-2-1-3-5(12)6(4)10-14-9(17-18-10)7-8(13)16-19-15-7/h1-3H,(H2,13,16)
InChIKeyCCINBRHBSDYZPZ-UHFFFAOYSA-N
MW265.18 g/mol
LogP1.65
Rot. Bonds2

About 4-[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-amine

4-[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-amine (PubChem CID 686448) has the molecular formula C10H5F2N5O2 and a molecular weight of 265.18 g/mol. Its IUPAC name is 4-[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-amine.

Molecular Properties

Compound Name4-[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-amine
PubChem CID686448
Molecular FormulaC10H5F2N5O2
Molecular Weight265.18 g/mol
Exact Mass265.04
IUPAC Name4-[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-amine
SMILESNc1nonc1-c1noc(-c2c(F)cccc2F)n1
InChIInChI=1S/C10H5F2N5O2/c11-4-2-1-3-5(12)6(4)10-14-9(17-18-10)7-8(13)16-19-15-7/h1-3H,(H2,13,16)
InChIKeyCCINBRHBSDYZPZ-UHFFFAOYSA-N
XLogP1.65
TPSA103.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.18
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-amine?
The IUPAC name of 4-[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-amine (CID 686448) is 4-[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-amine.
What is the SMILES notation for 4-[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-amine?
The canonical SMILES for 4-[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-amine is Nc1nonc1-c1noc(-c2c(F)cccc2F)n1.
What is the InChIKey of 4-[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-amine?
The InChIKey is CCINBRHBSDYZPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5F2N5O2/c11-4-2-1-3-5(12)6(4)10-14-9(17-18-10)7-8(13)16-19-15-7/h1-3H,(H2,13,16).
What are the key properties of 4-[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-amine?
4-[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-amine has a molecular weight of 265.18 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-amine is sourced from PubChem (CID 686448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).