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

C15H21FN4O — CID 79713030

IUPAC3-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-2-amine
SMILESCCCNC(C)C(CC)c1nc(-c2ccc(F)cn2)no1
InChIInChI=1S/C15H21FN4O/c1-4-8-17-10(3)12(5-2)15-19-14(20-21-15)13-7-6-11(16)9-18-13/h6-7,9-10,12,17H,4-5,8H2,1-3H3
InChIKeyLNQNICAGTKDMRR-UHFFFAOYSA-N
MW292.36 g/mol
LogP3.15
Rot. Bonds7

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

3-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-2-amine (PubChem CID 79713030) has the molecular formula C15H21FN4O and a molecular weight of 292.36 g/mol. Its IUPAC name is 3-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-2-amine.

Molecular Properties

Compound Name3-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-2-amine
PubChem CID79713030
Molecular FormulaC15H21FN4O
Molecular Weight292.36 g/mol
Exact Mass292.17
IUPAC Name3-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-2-amine
SMILESCCCNC(C)C(CC)c1nc(-c2ccc(F)cn2)no1
InChIInChI=1S/C15H21FN4O/c1-4-8-17-10(3)12(5-2)15-19-14(20-21-15)13-7-6-11(16)9-18-13/h6-7,9-10,12,17H,4-5,8H2,1-3H3
InChIKeyLNQNICAGTKDMRR-UHFFFAOYSA-N
XLogP3.15
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-2-amine
CID 63347982
N-ethyl-1-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 79719108
2-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-1-amine
CID 79719342
N-ethyl-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 63347939
3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-2-amine
CID 63347489
N-ethyl-3-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 63352199
1-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-2-amine
CID 79712947
3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-propylbutan-2-amine
CID 63348355
3-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine
CID 63352155
ethyl 2-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]propanoate
CID 79719784
3-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pentan-3-amine
CID 79804546
3-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-2-amine
CID 63350067

Frequently Asked Questions

What is the IUPAC name of 3-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-2-amine?
The IUPAC name of 3-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-2-amine (CID 79713030) is 3-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-2-amine.
What is the SMILES notation for 3-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-2-amine?
The canonical SMILES for 3-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-2-amine is CCCNC(C)C(CC)c1nc(-c2ccc(F)cn2)no1.
What is the InChIKey of 3-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-2-amine?
The InChIKey is LNQNICAGTKDMRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN4O/c1-4-8-17-10(3)12(5-2)15-19-14(20-21-15)13-7-6-11(16)9-18-13/h6-7,9-10,12,17H,4-5,8H2,1-3H3.
What are the key properties of 3-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-2-amine?
3-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-2-amine has a molecular weight of 292.36 g/mol, XLogP of 3.15, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-2-amine is sourced from PubChem (CID 79713030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).