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

C8H13N3O2 — CID 79316319

IUPAC5-(azetidin-3-yl)-3-(2-methoxyethyl)-1,2,4-oxadiazole
SMILESCOCCc1noc(C2CNC2)n1
InChIInChI=1S/C8H13N3O2/c1-12-3-2-7-10-8(13-11-7)6-4-9-5-6/h6,9H,2-5H2,1H3
InChIKeyPCNWJBJYXQUGJW-UHFFFAOYSA-N
MW183.21 g/mol
LogP-0.05
Rot. Bonds4

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

5-(azetidin-3-yl)-3-(2-methoxyethyl)-1,2,4-oxadiazole (PubChem CID 79316319) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 5-(azetidin-3-yl)-3-(2-methoxyethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(azetidin-3-yl)-3-(2-methoxyethyl)-1,2,4-oxadiazole
PubChem CID79316319
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name5-(azetidin-3-yl)-3-(2-methoxyethyl)-1,2,4-oxadiazole
SMILESCOCCc1noc(C2CNC2)n1
InChIInChI=1S/C8H13N3O2/c1-12-3-2-7-10-8(13-11-7)6-4-9-5-6/h6,9H,2-5H2,1H3
InChIKeyPCNWJBJYXQUGJW-UHFFFAOYSA-N
XLogP-0.05
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
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 5-(azetidin-3-yl)-3-(2-methoxyethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(azetidin-3-yl)-3-(2-methoxyethyl)-1,2,4-oxadiazole (CID 79316319) is 5-(azetidin-3-yl)-3-(2-methoxyethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(azetidin-3-yl)-3-(2-methoxyethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(azetidin-3-yl)-3-(2-methoxyethyl)-1,2,4-oxadiazole is COCCc1noc(C2CNC2)n1.
What is the InChIKey of 5-(azetidin-3-yl)-3-(2-methoxyethyl)-1,2,4-oxadiazole?
The InChIKey is PCNWJBJYXQUGJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-12-3-2-7-10-8(13-11-7)6-4-9-5-6/h6,9H,2-5H2,1H3.
What are the key properties of 5-(azetidin-3-yl)-3-(2-methoxyethyl)-1,2,4-oxadiazole?
5-(azetidin-3-yl)-3-(2-methoxyethyl)-1,2,4-oxadiazole has a molecular weight of 183.21 g/mol, XLogP of -0.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azetidin-3-yl)-3-(2-methoxyethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 79316319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).