1-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclobutan-1-amine

C12H14N4O — CID 81162267

IUPAC1-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclobutan-1-amine
SMILESCc1cccc(-c2noc(C3(N)CCC3)n2)n1
InChIInChI=1S/C12H14N4O/c1-8-4-2-5-9(14-8)10-15-11(17-16-10)12(13)6-3-7-12/h2,4-5H,3,6-7,13H2,1H3
InChIKeyDINUYHSTAHAANM-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.78
Rot. Bonds2

About 1-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclobutan-1-amine

1-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclobutan-1-amine (PubChem CID 81162267) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is 1-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclobutan-1-amine.

Molecular Properties

Compound Name1-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclobutan-1-amine
PubChem CID81162267
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC Name1-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclobutan-1-amine
SMILESCc1cccc(-c2noc(C3(N)CCC3)n2)n1
InChIInChI=1S/C12H14N4O/c1-8-4-2-5-9(14-8)10-15-11(17-16-10)12(13)6-3-7-12/h2,4-5H,3,6-7,13H2,1H3
InChIKeyDINUYHSTAHAANM-UHFFFAOYSA-N
XLogP1.78
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclobutan-1-amine?
The IUPAC name of 1-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclobutan-1-amine (CID 81162267) is 1-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclobutan-1-amine.
What is the SMILES notation for 1-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclobutan-1-amine?
The canonical SMILES for 1-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclobutan-1-amine is Cc1cccc(-c2noc(C3(N)CCC3)n2)n1.
What is the InChIKey of 1-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclobutan-1-amine?
The InChIKey is DINUYHSTAHAANM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c1-8-4-2-5-9(14-8)10-15-11(17-16-10)12(13)6-3-7-12/h2,4-5H,3,6-7,13H2,1H3.
What are the key properties of 1-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclobutan-1-amine?
1-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclobutan-1-amine has a molecular weight of 230.27 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclobutan-1-amine is sourced from PubChem (CID 81162267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).