5-(azetidin-3-ylmethyl)-3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazole

C13H16N4O — CID 82736501

IUPAC5-(azetidin-3-ylmethyl)-3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazole
SMILESCCc1cccnc1-c1noc(CC2CNC2)n1
InChIInChI=1S/C13H16N4O/c1-2-10-4-3-5-15-12(10)13-16-11(18-17-13)6-9-7-14-8-9/h3-5,9,14H,2,6-8H2,1H3
InChIKeyYIRZLSWWZFYKFG-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.46
Rot. Bonds4

About 5-(azetidin-3-ylmethyl)-3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazole

5-(azetidin-3-ylmethyl)-3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazole (PubChem CID 82736501) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 5-(azetidin-3-ylmethyl)-3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(azetidin-3-ylmethyl)-3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazole
PubChem CID82736501
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name5-(azetidin-3-ylmethyl)-3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazole
SMILESCCc1cccnc1-c1noc(CC2CNC2)n1
InChIInChI=1S/C13H16N4O/c1-2-10-4-3-5-15-12(10)13-16-11(18-17-13)6-9-7-14-8-9/h3-5,9,14H,2,6-8H2,1H3
InChIKeyYIRZLSWWZFYKFG-UHFFFAOYSA-N
XLogP1.46
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(azetidin-3-ylmethyl)-3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(azetidin-3-ylmethyl)-3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazole (CID 82736501) is 5-(azetidin-3-ylmethyl)-3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(azetidin-3-ylmethyl)-3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(azetidin-3-ylmethyl)-3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazole is CCc1cccnc1-c1noc(CC2CNC2)n1.
What is the InChIKey of 5-(azetidin-3-ylmethyl)-3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazole?
The InChIKey is YIRZLSWWZFYKFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-2-10-4-3-5-15-12(10)13-16-11(18-17-13)6-9-7-14-8-9/h3-5,9,14H,2,6-8H2,1H3.
What are the key properties of 5-(azetidin-3-ylmethyl)-3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazole?
5-(azetidin-3-ylmethyl)-3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazole has a molecular weight of 244.30 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azetidin-3-ylmethyl)-3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazole is sourced from PubChem (CID 82736501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).