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

C9H13N3O — CID 14898757

IUPAC3-ethyl-5-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-oxadiazole
SMILESCCc1noc(C2=CCCNC2)n1
InChIInChI=1S/C9H13N3O/c1-2-8-11-9(13-12-8)7-4-3-5-10-6-7/h4,10H,2-3,5-6H2,1H3
InChIKeyBAWNZJYQQFMPDY-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.01
Rot. Bonds2

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

3-ethyl-5-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-oxadiazole (PubChem CID 14898757) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 3-ethyl-5-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-ethyl-5-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-oxadiazole
PubChem CID14898757
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name3-ethyl-5-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-oxadiazole
SMILESCCc1noc(C2=CCCNC2)n1
InChIInChI=1S/C9H13N3O/c1-2-8-11-9(13-12-8)7-4-3-5-10-6-7/h4,10H,2-3,5-6H2,1H3
InChIKeyBAWNZJYQQFMPDY-UHFFFAOYSA-N
XLogP1.01
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-ethyl-5-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-oxadiazole (CID 14898757) is 3-ethyl-5-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-ethyl-5-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-ethyl-5-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-oxadiazole is CCc1noc(C2=CCCNC2)n1.
What is the InChIKey of 3-ethyl-5-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-oxadiazole?
The InChIKey is BAWNZJYQQFMPDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c1-2-8-11-9(13-12-8)7-4-3-5-10-6-7/h4,10H,2-3,5-6H2,1H3.
What are the key properties of 3-ethyl-5-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-oxadiazole?
3-ethyl-5-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-oxadiazole has a molecular weight of 179.22 g/mol, XLogP of 1.01, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 14898757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).