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

C12H16N4O — CID 79798166

IUPAC2-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
SMILESCCC(C)(N)c1nc(-c2cc(C)ccn2)no1
InChIInChI=1S/C12H16N4O/c1-4-12(3,13)11-15-10(16-17-11)9-7-8(2)5-6-14-9/h5-7H,4,13H2,1-3H3
InChIKeyWKXPNUXLTPKRLM-UHFFFAOYSA-N
MW232.29 g/mol
LogP2.02
Rot. Bonds3

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

2-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]butan-2-amine (PubChem CID 79798166) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 2-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]butan-2-amine.

Molecular Properties

Compound Name2-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
PubChem CID79798166
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name2-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
SMILESCCC(C)(N)c1nc(-c2cc(C)ccn2)no1
InChIInChI=1S/C12H16N4O/c1-4-12(3,13)11-15-10(16-17-11)9-7-8(2)5-6-14-9/h5-7H,4,13H2,1-3H3
InChIKeyWKXPNUXLTPKRLM-UHFFFAOYSA-N
XLogP2.02
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]butan-2-amine?
The IUPAC name of 2-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]butan-2-amine (CID 79798166) is 2-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]butan-2-amine.
What is the SMILES notation for 2-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]butan-2-amine?
The canonical SMILES for 2-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]butan-2-amine is CCC(C)(N)c1nc(-c2cc(C)ccn2)no1.
What is the InChIKey of 2-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]butan-2-amine?
The InChIKey is WKXPNUXLTPKRLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-4-12(3,13)11-15-10(16-17-11)9-7-8(2)5-6-14-9/h5-7H,4,13H2,1-3H3.
What are the key properties of 2-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]butan-2-amine?
2-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]butan-2-amine has a molecular weight of 232.29 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]butan-2-amine is sourced from PubChem (CID 79798166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).