5-(azetidin-3-yl)-3-methyl-1,2,4-oxadiazole

C6H9N3O — CID 46737147

IUPAC5-(azetidin-3-yl)-3-methyl-1,2,4-oxadiazole
SMILESCc1noc(C2CNC2)n1
InChIInChI=1S/C6H9N3O/c1-4-8-6(10-9-4)5-2-7-3-5/h5,7H,2-3H2,1H3
InChIKeyYJUTYBZBQLBFJO-UHFFFAOYSA-N
MW139.16 g/mol
LogP0.06
Rot. Bonds1

About 5-(azetidin-3-yl)-3-methyl-1,2,4-oxadiazole

5-(azetidin-3-yl)-3-methyl-1,2,4-oxadiazole (PubChem CID 46737147) has the molecular formula C6H9N3O and a molecular weight of 139.16 g/mol. Its IUPAC name is 5-(azetidin-3-yl)-3-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(azetidin-3-yl)-3-methyl-1,2,4-oxadiazole
PubChem CID46737147
Molecular FormulaC6H9N3O
Molecular Weight139.16 g/mol
Exact Mass139.07
IUPAC Name5-(azetidin-3-yl)-3-methyl-1,2,4-oxadiazole
SMILESCc1noc(C2CNC2)n1
InChIInChI=1S/C6H9N3O/c1-4-8-6(10-9-4)5-2-7-3-5/h5,7H,2-3H2,1H3
InChIKeyYJUTYBZBQLBFJO-UHFFFAOYSA-N
XLogP0.06
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.16
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(azetidin-3-yl)-3-methyl-1,2,4-oxadiazole?
The IUPAC name of 5-(azetidin-3-yl)-3-methyl-1,2,4-oxadiazole (CID 46737147) is 5-(azetidin-3-yl)-3-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(azetidin-3-yl)-3-methyl-1,2,4-oxadiazole?
The canonical SMILES for 5-(azetidin-3-yl)-3-methyl-1,2,4-oxadiazole is Cc1noc(C2CNC2)n1.
What is the InChIKey of 5-(azetidin-3-yl)-3-methyl-1,2,4-oxadiazole?
The InChIKey is YJUTYBZBQLBFJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O/c1-4-8-6(10-9-4)5-2-7-3-5/h5,7H,2-3H2,1H3.
What are the key properties of 5-(azetidin-3-yl)-3-methyl-1,2,4-oxadiazole?
5-(azetidin-3-yl)-3-methyl-1,2,4-oxadiazole has a molecular weight of 139.16 g/mol, XLogP of 0.06, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azetidin-3-yl)-3-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 46737147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).