2-(2-methylazetidin-3-yl)-1,3,4-oxadiazole

C6H9N3O — CID 175554457

IUPAC2-(2-methylazetidin-3-yl)-1,3,4-oxadiazole
SMILESCC1NCC1c1nnco1
InChIInChI=1S/C6H9N3O/c1-4-5(2-7-4)6-9-8-3-10-6/h3-5,7H,2H2,1H3
InChIKeyGPDAQXSGYWSDRN-UHFFFAOYSA-N
MW139.16 g/mol
LogP0.14
Rot. Bonds1

About 2-(2-methylazetidin-3-yl)-1,3,4-oxadiazole

2-(2-methylazetidin-3-yl)-1,3,4-oxadiazole (PubChem CID 175554457) has the molecular formula C6H9N3O and a molecular weight of 139.16 g/mol. Its IUPAC name is 2-(2-methylazetidin-3-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(2-methylazetidin-3-yl)-1,3,4-oxadiazole
PubChem CID175554457
Molecular FormulaC6H9N3O
Molecular Weight139.16 g/mol
Exact Mass139.07
IUPAC Name2-(2-methylazetidin-3-yl)-1,3,4-oxadiazole
SMILESCC1NCC1c1nnco1
InChIInChI=1S/C6H9N3O/c1-4-5(2-7-4)6-9-8-3-10-6/h3-5,7H,2H2,1H3
InChIKeyGPDAQXSGYWSDRN-UHFFFAOYSA-N
XLogP0.14
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 ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylazetidin-3-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-(2-methylazetidin-3-yl)-1,3,4-oxadiazole (CID 175554457) is 2-(2-methylazetidin-3-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(2-methylazetidin-3-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(2-methylazetidin-3-yl)-1,3,4-oxadiazole is CC1NCC1c1nnco1.
What is the InChIKey of 2-(2-methylazetidin-3-yl)-1,3,4-oxadiazole?
The InChIKey is GPDAQXSGYWSDRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O/c1-4-5(2-7-4)6-9-8-3-10-6/h3-5,7H,2H2,1H3.
What are the key properties of 2-(2-methylazetidin-3-yl)-1,3,4-oxadiazole?
2-(2-methylazetidin-3-yl)-1,3,4-oxadiazole has a molecular weight of 139.16 g/mol, XLogP of 0.14, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylazetidin-3-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 175554457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).