3-[(3-methylazetidin-3-yl)oxymethyl]-1,2,4-oxadiazole

C7H11N3O2 — CID 83065587

IUPAC3-[(3-methylazetidin-3-yl)oxymethyl]-1,2,4-oxadiazole
SMILESCC1(OCc2ncon2)CNC1
InChIInChI=1S/C7H11N3O2/c1-7(3-8-4-7)11-2-6-9-5-12-10-6/h5,8H,2-4H2,1H3
InChIKeyDOKDZFMHTKWAKR-UHFFFAOYSA-N
MW169.18 g/mol
LogP-0.05
Rot. Bonds3

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

3-[(3-methylazetidin-3-yl)oxymethyl]-1,2,4-oxadiazole (PubChem CID 83065587) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is 3-[(3-methylazetidin-3-yl)oxymethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[(3-methylazetidin-3-yl)oxymethyl]-1,2,4-oxadiazole
PubChem CID83065587
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC Name3-[(3-methylazetidin-3-yl)oxymethyl]-1,2,4-oxadiazole
SMILESCC1(OCc2ncon2)CNC1
InChIInChI=1S/C7H11N3O2/c1-7(3-8-4-7)11-2-6-9-5-12-10-6/h5,8H,2-4H2,1H3
InChIKeyDOKDZFMHTKWAKR-UHFFFAOYSA-N
XLogP-0.05
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-methylazetidin-3-yl)oxymethyl]-1,2,4-oxadiazole?
The IUPAC name of 3-[(3-methylazetidin-3-yl)oxymethyl]-1,2,4-oxadiazole (CID 83065587) is 3-[(3-methylazetidin-3-yl)oxymethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-[(3-methylazetidin-3-yl)oxymethyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-[(3-methylazetidin-3-yl)oxymethyl]-1,2,4-oxadiazole is CC1(OCc2ncon2)CNC1.
What is the InChIKey of 3-[(3-methylazetidin-3-yl)oxymethyl]-1,2,4-oxadiazole?
The InChIKey is DOKDZFMHTKWAKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2/c1-7(3-8-4-7)11-2-6-9-5-12-10-6/h5,8H,2-4H2,1H3.
What are the key properties of 3-[(3-methylazetidin-3-yl)oxymethyl]-1,2,4-oxadiazole?
3-[(3-methylazetidin-3-yl)oxymethyl]-1,2,4-oxadiazole has a molecular weight of 169.18 g/mol, XLogP of -0.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methylazetidin-3-yl)oxymethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 83065587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).