5-(5-fluoro-3-pyridinyl)-1,2,4-oxadiazol-3-amine

C7H5FN4O — CID 104786443

IUPAC5-(5-fluoro-3-pyridinyl)-1,2,4-oxadiazol-3-amine
SMILESNc1noc(-c2cncc(F)c2)n1
InChIInChI=1S/C7H5FN4O/c8-5-1-4(2-10-3-5)6-11-7(9)12-13-6/h1-3H,(H2,9,12)
InChIKeyQKJYIBTYTJYCHA-UHFFFAOYSA-N
MW180.14 g/mol
LogP0.85
Rot. Bonds1

About 5-(5-fluoro-3-pyridinyl)-1,2,4-oxadiazol-3-amine

5-(5-fluoro-3-pyridinyl)-1,2,4-oxadiazol-3-amine (PubChem CID 104786443) has the molecular formula C7H5FN4O and a molecular weight of 180.14 g/mol. Its IUPAC name is 5-(5-fluoro-3-pyridinyl)-1,2,4-oxadiazol-3-amine.

Molecular Properties

Compound Name5-(5-fluoro-3-pyridinyl)-1,2,4-oxadiazol-3-amine
PubChem CID104786443
Molecular FormulaC7H5FN4O
Molecular Weight180.14 g/mol
Exact Mass180.04
IUPAC Name5-(5-fluoro-3-pyridinyl)-1,2,4-oxadiazol-3-amine
SMILESNc1noc(-c2cncc(F)c2)n1
InChIInChI=1S/C7H5FN4O/c8-5-1-4(2-10-3-5)6-11-7(9)12-13-6/h1-3H,(H2,9,12)
InChIKeyQKJYIBTYTJYCHA-UHFFFAOYSA-N
XLogP0.85
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.14
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3,5-difluorophenyl)-1,2,4-oxadiazol-3-amine
CID 63692420
2-[5-(5-fluoro-3-pyridinyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 104786429
3-[5-(5-fluoro-3-pyridinyl)-1,2,4-oxadiazol-3-yl]pentan-3-amine
CID 113452939
1-[5-(5-fluoro-3-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 104786423
1-[5-(5-fluoro-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-morpholin-4-ylethanamine
CID 104786455
2-[5-(5-fluoro-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-1-propoxypropan-2-amine
CID 104786458
5-(4-amino-3-chlorophenyl)-1,2,4-oxadiazol-3-amine
CID 65416842
2-chloro-5-(5-fluoro-3-pyridinyl)-1,3,4-oxadiazole
CID 114770928
5-(3-aminophenyl)-1,2,4-oxadiazol-3-amine
CID 65417275
4-(3,4-dichlorophenyl)-3-(5-fluoro-3-pyridinyl)-1,2-oxazol-5-amine
CID 104786016
4-(3,4-dichlorophenyl)-5-(5-fluoro-3-pyridinyl)-1,2-oxazol-3-amine
CID 104786779
3-(5-fluoro-3-pyridinyl)-4-pyridin-4-yl-1,2-oxazol-5-amine
CID 104786026

Frequently Asked Questions

What is the IUPAC name of 5-(5-fluoro-3-pyridinyl)-1,2,4-oxadiazol-3-amine?
The IUPAC name of 5-(5-fluoro-3-pyridinyl)-1,2,4-oxadiazol-3-amine (CID 104786443) is 5-(5-fluoro-3-pyridinyl)-1,2,4-oxadiazol-3-amine.
What is the SMILES notation for 5-(5-fluoro-3-pyridinyl)-1,2,4-oxadiazol-3-amine?
The canonical SMILES for 5-(5-fluoro-3-pyridinyl)-1,2,4-oxadiazol-3-amine is Nc1noc(-c2cncc(F)c2)n1.
What is the InChIKey of 5-(5-fluoro-3-pyridinyl)-1,2,4-oxadiazol-3-amine?
The InChIKey is QKJYIBTYTJYCHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5FN4O/c8-5-1-4(2-10-3-5)6-11-7(9)12-13-6/h1-3H,(H2,9,12).
What are the key properties of 5-(5-fluoro-3-pyridinyl)-1,2,4-oxadiazol-3-amine?
5-(5-fluoro-3-pyridinyl)-1,2,4-oxadiazol-3-amine has a molecular weight of 180.14 g/mol, XLogP of 0.85, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-fluoro-3-pyridinyl)-1,2,4-oxadiazol-3-amine is sourced from PubChem (CID 104786443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).