2-fluoro-5-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]aniline

C13H8F2N4O — CID 79719610

IUPAC2-fluoro-5-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]aniline
SMILESNc1cc(-c2nc(-c3ccc(F)cn3)no2)ccc1F
InChIInChI=1S/C13H8F2N4O/c14-8-2-4-11(17-6-8)12-18-13(20-19-12)7-1-3-9(15)10(16)5-7/h1-6H,16H2
InChIKeyFQMHAMIAKMRYOK-UHFFFAOYSA-N
MW274.23 g/mol
LogP2.66
Rot. Bonds2

About 2-fluoro-5-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]aniline

2-fluoro-5-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]aniline (PubChem CID 79719610) has the molecular formula C13H8F2N4O and a molecular weight of 274.23 g/mol. Its IUPAC name is 2-fluoro-5-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]aniline.

Molecular Properties

Compound Name2-fluoro-5-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]aniline
PubChem CID79719610
Molecular FormulaC13H8F2N4O
Molecular Weight274.23 g/mol
Exact Mass274.07
IUPAC Name2-fluoro-5-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]aniline
SMILESNc1cc(-c2nc(-c3ccc(F)cn3)no2)ccc1F
InChIInChI=1S/C13H8F2N4O/c14-8-2-4-11(17-6-8)12-18-13(20-19-12)7-1-3-9(15)10(16)5-7/h1-6H,16H2
InChIKeyFQMHAMIAKMRYOK-UHFFFAOYSA-N
XLogP2.66
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.23
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-fluoroaniline
CID 60836564
5-[3-(3-bromo-5-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-fluoroaniline
CID 66423613
5-(3,5-dimethylphenyl)-3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazole
CID 11242644
5-[3-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-fluoroaniline
CID 82788331
4-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]benzonitrile
CID 104704173
5-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-2-methoxyphenol
CID 79735633
2-fluoro-5-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 60836750
2-fluoro-5-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]aniline
CID 61392899
5-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-2-fluoroaniline
CID 79078355
5-[3-(4-bromo-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-fluoroaniline
CID 103083299
2-fluoro-5-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]aniline
CID 79953704
2-fluoro-5-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]aniline
CID 60837259

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]aniline?
The IUPAC name of 2-fluoro-5-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]aniline (CID 79719610) is 2-fluoro-5-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]aniline.
What is the SMILES notation for 2-fluoro-5-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]aniline?
The canonical SMILES for 2-fluoro-5-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]aniline is Nc1cc(-c2nc(-c3ccc(F)cn3)no2)ccc1F.
What is the InChIKey of 2-fluoro-5-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]aniline?
The InChIKey is FQMHAMIAKMRYOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F2N4O/c14-8-2-4-11(17-6-8)12-18-13(20-19-12)7-1-3-9(15)10(16)5-7/h1-6H,16H2.
What are the key properties of 2-fluoro-5-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]aniline?
2-fluoro-5-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]aniline has a molecular weight of 274.23 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]aniline is sourced from PubChem (CID 79719610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).