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

C13H16N4O — CID 79845555

IUPAC1-[[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutan-1-amine
SMILESCc1cccnc1-c1noc(CC2(N)CCC2)n1
InChIInChI=1S/C13H16N4O/c1-9-4-2-7-15-11(9)12-16-10(18-17-12)8-13(14)5-3-6-13/h2,4,7H,3,5-6,8,14H2,1H3
InChIKeyUHYHHZACGNFLOV-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.86
Rot. Bonds3

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

1-[[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutan-1-amine (PubChem CID 79845555) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 1-[[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name1-[[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutan-1-amine
PubChem CID79845555
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name1-[[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutan-1-amine
SMILESCc1cccnc1-c1noc(CC2(N)CCC2)n1
InChIInChI=1S/C13H16N4O/c1-9-4-2-7-15-11(9)12-16-10(18-17-12)8-13(14)5-3-6-13/h2,4,7H,3,5-6,8,14H2,1H3
InChIKeyUHYHHZACGNFLOV-UHFFFAOYSA-N
XLogP1.86
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutan-1-amine?
The IUPAC name of 1-[[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutan-1-amine (CID 79845555) is 1-[[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutan-1-amine.
What is the SMILES notation for 1-[[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutan-1-amine?
The canonical SMILES for 1-[[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutan-1-amine is Cc1cccnc1-c1noc(CC2(N)CCC2)n1.
What is the InChIKey of 1-[[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutan-1-amine?
The InChIKey is UHYHHZACGNFLOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-9-4-2-7-15-11(9)12-16-10(18-17-12)8-13(14)5-3-6-13/h2,4,7H,3,5-6,8,14H2,1H3.
What are the key properties of 1-[[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutan-1-amine?
1-[[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutan-1-amine has a molecular weight of 244.30 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutan-1-amine is sourced from PubChem (CID 79845555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).