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

C13H18N4O — CID 63839212

IUPAC1-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
SMILESCCCCC(N)c1nc(-c2cc(C)ccn2)no1
InChIInChI=1S/C13H18N4O/c1-3-4-5-10(14)13-16-12(17-18-13)11-8-9(2)6-7-15-11/h6-8,10H,3-5,14H2,1-2H3
InChIKeyWYAPBTGKQLHSSZ-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.63
Rot. Bonds5

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

1-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine (PubChem CID 63839212) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 1-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine.

Molecular Properties

Compound Name1-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
PubChem CID63839212
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name1-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
SMILESCCCCC(N)c1nc(-c2cc(C)ccn2)no1
InChIInChI=1S/C13H18N4O/c1-3-4-5-10(14)13-16-12(17-18-13)11-8-9(2)6-7-15-11/h6-8,10H,3-5,14H2,1-2H3
InChIKeyWYAPBTGKQLHSSZ-UHFFFAOYSA-N
XLogP2.63
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-2-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 63841519
(1S)-1-[3-(2-bromo-4-methylphenyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 107915239
1-[3-(2-bromo-4-methylphenyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 104881068
5-(diethoxymethyl)-3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazole
CID 63839306
(1R)-2-(1H-imidazol-5-yl)-1-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 104894645
(1S)-2-(1H-imidazol-5-yl)-1-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 104894644
1-[3-(3-bromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 113398129
(1S)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 93057298
1-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 63839886
(1S)-1-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 107144899
(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)pentan-1-amine
CID 93057386
[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 63840632

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine?
The IUPAC name of 1-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine (CID 63839212) is 1-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine.
What is the SMILES notation for 1-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine?
The canonical SMILES for 1-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine is CCCCC(N)c1nc(-c2cc(C)ccn2)no1.
What is the InChIKey of 1-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine?
The InChIKey is WYAPBTGKQLHSSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-3-4-5-10(14)13-16-12(17-18-13)11-8-9(2)6-7-15-11/h6-8,10H,3-5,14H2,1-2H3.
What are the key properties of 1-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine?
1-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine has a molecular weight of 246.31 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine is sourced from PubChem (CID 63839212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).