5-[1-(azetidin-3-yl)triazol-4-yl]-3-(3-methoxypropyl)-1,2,4-oxadiazole

C11H16N6O2 — CID 79317181

IUPAC5-[1-(azetidin-3-yl)triazol-4-yl]-3-(3-methoxypropyl)-1,2,4-oxadiazole
SMILESCOCCCc1noc(-c2cn(C3CNC3)nn2)n1
InChIInChI=1S/C11H16N6O2/c1-18-4-2-3-10-13-11(19-15-10)9-7-17(16-14-9)8-5-12-6-8/h7-8,12H,2-6H2,1H3
InChIKeyURHMFWJUILGHNG-UHFFFAOYSA-N
MW264.29 g/mol
LogP0.05
Rot. Bonds6

About 5-[1-(azetidin-3-yl)triazol-4-yl]-3-(3-methoxypropyl)-1,2,4-oxadiazole

5-[1-(azetidin-3-yl)triazol-4-yl]-3-(3-methoxypropyl)-1,2,4-oxadiazole (PubChem CID 79317181) has the molecular formula C11H16N6O2 and a molecular weight of 264.29 g/mol. Its IUPAC name is 5-[1-(azetidin-3-yl)triazol-4-yl]-3-(3-methoxypropyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[1-(azetidin-3-yl)triazol-4-yl]-3-(3-methoxypropyl)-1,2,4-oxadiazole
PubChem CID79317181
Molecular FormulaC11H16N6O2
Molecular Weight264.29 g/mol
Exact Mass264.13
IUPAC Name5-[1-(azetidin-3-yl)triazol-4-yl]-3-(3-methoxypropyl)-1,2,4-oxadiazole
SMILESCOCCCc1noc(-c2cn(C3CNC3)nn2)n1
InChIInChI=1S/C11H16N6O2/c1-18-4-2-3-10-13-11(19-15-10)9-7-17(16-14-9)8-5-12-6-8/h7-8,12H,2-6H2,1H3
InChIKeyURHMFWJUILGHNG-UHFFFAOYSA-N
XLogP0.05
TPSA90.89 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(azetidin-3-yl)triazol-4-yl]-3-(3-methoxypropyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[1-(azetidin-3-yl)triazol-4-yl]-3-(3-methoxypropyl)-1,2,4-oxadiazole (CID 79317181) is 5-[1-(azetidin-3-yl)triazol-4-yl]-3-(3-methoxypropyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[1-(azetidin-3-yl)triazol-4-yl]-3-(3-methoxypropyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[1-(azetidin-3-yl)triazol-4-yl]-3-(3-methoxypropyl)-1,2,4-oxadiazole is COCCCc1noc(-c2cn(C3CNC3)nn2)n1.
What is the InChIKey of 5-[1-(azetidin-3-yl)triazol-4-yl]-3-(3-methoxypropyl)-1,2,4-oxadiazole?
The InChIKey is URHMFWJUILGHNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6O2/c1-18-4-2-3-10-13-11(19-15-10)9-7-17(16-14-9)8-5-12-6-8/h7-8,12H,2-6H2,1H3.
What are the key properties of 5-[1-(azetidin-3-yl)triazol-4-yl]-3-(3-methoxypropyl)-1,2,4-oxadiazole?
5-[1-(azetidin-3-yl)triazol-4-yl]-3-(3-methoxypropyl)-1,2,4-oxadiazole has a molecular weight of 264.29 g/mol, XLogP of 0.05, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(azetidin-3-yl)triazol-4-yl]-3-(3-methoxypropyl)-1,2,4-oxadiazole is sourced from PubChem (CID 79317181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).