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

C10H5F2N5O2 — CID 62807678

IUPAC4-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine
SMILESNc1nonc1-c1nc(-c2ccc(F)c(F)c2)no1
InChIInChI=1S/C10H5F2N5O2/c11-5-2-1-4(3-6(5)12)9-14-10(18-17-9)7-8(13)16-19-15-7/h1-3H,(H2,13,16)
InChIKeyGISYGBDWXQHFQV-UHFFFAOYSA-N
MW265.18 g/mol
LogP1.65
Rot. Bonds2

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

4-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine (PubChem CID 62807678) has the molecular formula C10H5F2N5O2 and a molecular weight of 265.18 g/mol. Its IUPAC name is 4-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine.

Molecular Properties

Compound Name4-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine
PubChem CID62807678
Molecular FormulaC10H5F2N5O2
Molecular Weight265.18 g/mol
Exact Mass265.04
IUPAC Name4-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine
SMILESNc1nonc1-c1nc(-c2ccc(F)c(F)c2)no1
InChIInChI=1S/C10H5F2N5O2/c11-5-2-1-4(3-6(5)12)9-14-10(18-17-9)7-8(13)16-19-15-7/h1-3H,(H2,13,16)
InChIKeyGISYGBDWXQHFQV-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-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine?
The IUPAC name of 4-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine (CID 62807678) is 4-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine.
What is the SMILES notation for 4-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine?
The canonical SMILES for 4-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine is Nc1nonc1-c1nc(-c2ccc(F)c(F)c2)no1.
What is the InChIKey of 4-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine?
The InChIKey is GISYGBDWXQHFQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5F2N5O2/c11-5-2-1-4(3-6(5)12)9-14-10(18-17-9)7-8(13)16-19-15-7/h1-3H,(H2,13,16).
What are the key properties of 4-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine?
4-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-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-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine is sourced from PubChem (CID 62807678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).