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

C12H15FN4O — CID 113452939

IUPAC3-[5-(5-fluoro-3-pyridinyl)-1,2,4-oxadiazol-3-yl]pentan-3-amine
SMILESCCC(N)(CC)c1noc(-c2cncc(F)c2)n1
InChIInChI=1S/C12H15FN4O/c1-3-12(14,4-2)11-16-10(18-17-11)8-5-9(13)7-15-6-8/h5-7H,3-4,14H2,1-2H3
InChIKeyJRHKJDIDGAGLEY-UHFFFAOYSA-N
MW250.28 g/mol
LogP2.24
Rot. Bonds4

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

3-[5-(5-fluoro-3-pyridinyl)-1,2,4-oxadiazol-3-yl]pentan-3-amine (PubChem CID 113452939) has the molecular formula C12H15FN4O and a molecular weight of 250.28 g/mol. Its IUPAC name is 3-[5-(5-fluoro-3-pyridinyl)-1,2,4-oxadiazol-3-yl]pentan-3-amine.

Molecular Properties

Compound Name3-[5-(5-fluoro-3-pyridinyl)-1,2,4-oxadiazol-3-yl]pentan-3-amine
PubChem CID113452939
Molecular FormulaC12H15FN4O
Molecular Weight250.28 g/mol
Exact Mass250.12
IUPAC Name3-[5-(5-fluoro-3-pyridinyl)-1,2,4-oxadiazol-3-yl]pentan-3-amine
SMILESCCC(N)(CC)c1noc(-c2cncc(F)c2)n1
InChIInChI=1S/C12H15FN4O/c1-3-12(14,4-2)11-16-10(18-17-11)8-5-9(13)7-15-6-8/h5-7H,3-4,14H2,1-2H3
InChIKeyJRHKJDIDGAGLEY-UHFFFAOYSA-N
XLogP2.24
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.28
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[5-(5-fluoro-3-pyridinyl)-1,2,4-oxadiazol-3-yl]pentan-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[5-(5-fluoro-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-1-propoxypropan-2-amine
CID 104786458
2-[5-(5-fluoro-3-pyridinyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 104786429
5-(5-fluoro-3-pyridinyl)-1,2,4-oxadiazol-3-amine
CID 104786443
3-[5-(2,5-difluorophenyl)-1,2,4-oxadiazol-3-yl]pentan-3-amine
CID 61326096
3-[5-(4-chloro-2,5-difluorophenyl)-1,2,4-oxadiazol-3-yl]pentan-3-amine
CID 82772686
3-[5-(4-ethylphenyl)-1,2,4-oxadiazol-3-yl]pentan-3-amine
CID 61325906
3-[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]pentan-3-amine
CID 61324868
3-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]pentan-3-amine
CID 61326505
3-[5-(5-chlorofuran-2-yl)-1,2,4-oxadiazol-3-yl]pentan-3-amine
CID 106689437
3-[5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]pentan-3-amine
CID 61326088
3-[5-(5-methyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]pentan-3-amine
CID 61326086
3-[5-(2,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]pentan-3-amine
CID 61326318

Frequently Asked Questions

What is the IUPAC name of 3-[5-(5-fluoro-3-pyridinyl)-1,2,4-oxadiazol-3-yl]pentan-3-amine?
The IUPAC name of 3-[5-(5-fluoro-3-pyridinyl)-1,2,4-oxadiazol-3-yl]pentan-3-amine (CID 113452939) is 3-[5-(5-fluoro-3-pyridinyl)-1,2,4-oxadiazol-3-yl]pentan-3-amine.
What is the SMILES notation for 3-[5-(5-fluoro-3-pyridinyl)-1,2,4-oxadiazol-3-yl]pentan-3-amine?
The canonical SMILES for 3-[5-(5-fluoro-3-pyridinyl)-1,2,4-oxadiazol-3-yl]pentan-3-amine is CCC(N)(CC)c1noc(-c2cncc(F)c2)n1.
What is the InChIKey of 3-[5-(5-fluoro-3-pyridinyl)-1,2,4-oxadiazol-3-yl]pentan-3-amine?
The InChIKey is JRHKJDIDGAGLEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN4O/c1-3-12(14,4-2)11-16-10(18-17-11)8-5-9(13)7-15-6-8/h5-7H,3-4,14H2,1-2H3.
What are the key properties of 3-[5-(5-fluoro-3-pyridinyl)-1,2,4-oxadiazol-3-yl]pentan-3-amine?
3-[5-(5-fluoro-3-pyridinyl)-1,2,4-oxadiazol-3-yl]pentan-3-amine has a molecular weight of 250.28 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(5-fluoro-3-pyridinyl)-1,2,4-oxadiazol-3-yl]pentan-3-amine is sourced from PubChem (CID 113452939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).