3-(2-fluoroethyl)-5-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-oxadiazole

C9H12FN3O — CID 14898774

IUPAC3-(2-fluoroethyl)-5-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-oxadiazole
SMILESFCCc1noc(C2=CCCNC2)n1
InChIInChI=1S/C9H12FN3O/c10-4-3-8-12-9(14-13-8)7-2-1-5-11-6-7/h2,11H,1,3-6H2
InChIKeyAURGGIQMMVJUFC-UHFFFAOYSA-N
MW197.21 g/mol
LogP0.96
Rot. Bonds3

About 3-(2-fluoroethyl)-5-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-oxadiazole

3-(2-fluoroethyl)-5-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-oxadiazole (PubChem CID 14898774) has the molecular formula C9H12FN3O and a molecular weight of 197.21 g/mol. Its IUPAC name is 3-(2-fluoroethyl)-5-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(2-fluoroethyl)-5-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-oxadiazole
PubChem CID14898774
Molecular FormulaC9H12FN3O
Molecular Weight197.21 g/mol
Exact Mass197.10
IUPAC Name3-(2-fluoroethyl)-5-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-oxadiazole
SMILESFCCc1noc(C2=CCCNC2)n1
InChIInChI=1S/C9H12FN3O/c10-4-3-8-12-9(14-13-8)7-2-1-5-11-6-7/h2,11H,1,3-6H2
InChIKeyAURGGIQMMVJUFC-UHFFFAOYSA-N
XLogP0.96
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.21
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoroethyl)-5-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(2-fluoroethyl)-5-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-oxadiazole (CID 14898774) is 3-(2-fluoroethyl)-5-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(2-fluoroethyl)-5-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(2-fluoroethyl)-5-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-oxadiazole is FCCc1noc(C2=CCCNC2)n1.
What is the InChIKey of 3-(2-fluoroethyl)-5-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-oxadiazole?
The InChIKey is AURGGIQMMVJUFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FN3O/c10-4-3-8-12-9(14-13-8)7-2-1-5-11-6-7/h2,11H,1,3-6H2.
What are the key properties of 3-(2-fluoroethyl)-5-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-oxadiazole?
3-(2-fluoroethyl)-5-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-oxadiazole has a molecular weight of 197.21 g/mol, XLogP of 0.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoroethyl)-5-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 14898774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).