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

C15H21FN4O — CID 79712947

IUPAC1-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-2-amine
SMILESCCCNC(CCC)Cc1nc(-c2ccc(F)cn2)no1
InChIInChI=1S/C15H21FN4O/c1-3-5-12(17-8-4-2)9-14-19-15(20-21-14)13-7-6-11(16)10-18-13/h6-7,10,12,17H,3-5,8-9H2,1-2H3
InChIKeyDIQKZQJXPRWSDR-UHFFFAOYSA-N
MW292.36 g/mol
LogP2.98
Rot. Bonds8

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

1-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-2-amine (PubChem CID 79712947) has the molecular formula C15H21FN4O and a molecular weight of 292.36 g/mol. Its IUPAC name is 1-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-2-amine.

Molecular Properties

Compound Name1-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-2-amine
PubChem CID79712947
Molecular FormulaC15H21FN4O
Molecular Weight292.36 g/mol
Exact Mass292.17
IUPAC Name1-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-2-amine
SMILESCCCNC(CCC)Cc1nc(-c2ccc(F)cn2)no1
InChIInChI=1S/C15H21FN4O/c1-3-5-12(17-8-4-2)9-14-19-15(20-21-14)13-7-6-11(16)10-18-13/h6-7,10,12,17H,3-5,8-9H2,1-2H3
InChIKeyDIQKZQJXPRWSDR-UHFFFAOYSA-N
XLogP2.98
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol
CID 79718714
2-[[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]butan-1-amine
CID 81072670
1-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N,3-dimethylbutan-2-amine
CID 79718812
1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine
CID 63347983
1-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-2-amine
CID 82902554
3-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-2-amine
CID 79713030
1-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]-N-propylbutan-2-amine
CID 115531511
N-propyl-1-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 63350417
1-[3-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine
CID 107282915
1-[3-(2-bromo-5-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine
CID 107924504
1-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine
CID 63350300
1-[3-(3-bromo-5-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-ethylpentan-2-amine
CID 66425105

Frequently Asked Questions

What is the IUPAC name of 1-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-2-amine?
The IUPAC name of 1-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-2-amine (CID 79712947) is 1-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-2-amine.
What is the SMILES notation for 1-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-2-amine?
The canonical SMILES for 1-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-2-amine is CCCNC(CCC)Cc1nc(-c2ccc(F)cn2)no1.
What is the InChIKey of 1-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-2-amine?
The InChIKey is DIQKZQJXPRWSDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN4O/c1-3-5-12(17-8-4-2)9-14-19-15(20-21-14)13-7-6-11(16)10-18-13/h6-7,10,12,17H,3-5,8-9H2,1-2H3.
What are the key properties of 1-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-2-amine?
1-[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 2.98, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-2-amine is sourced from PubChem (CID 79712947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).