2-[5-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-oxadiazol-3-yl]ethanol

C9H13N3O2 — CID 14898771

IUPAC2-[5-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-oxadiazol-3-yl]ethanol
SMILESOCCc1noc(C2=CCCNC2)n1
InChIInChI=1S/C9H13N3O2/c13-5-3-8-11-9(14-12-8)7-2-1-4-10-6-7/h2,10,13H,1,3-6H2
InChIKeyTVHMCKCQSSLHSU-UHFFFAOYSA-N
MW195.22 g/mol
LogP-0.02
Rot. Bonds3

About 2-[5-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-oxadiazol-3-yl]ethanol

2-[5-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-oxadiazol-3-yl]ethanol (PubChem CID 14898771) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 2-[5-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-oxadiazol-3-yl]ethanol.

Molecular Properties

Compound Name2-[5-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-oxadiazol-3-yl]ethanol
PubChem CID14898771
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name2-[5-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-oxadiazol-3-yl]ethanol
SMILESOCCc1noc(C2=CCCNC2)n1
InChIInChI=1S/C9H13N3O2/c13-5-3-8-11-9(14-12-8)7-2-1-4-10-6-7/h2,10,13H,1,3-6H2
InChIKeyTVHMCKCQSSLHSU-UHFFFAOYSA-N
XLogP-0.02
TPSA71.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-oxadiazol-3-yl]ethanol?
The IUPAC name of 2-[5-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-oxadiazol-3-yl]ethanol (CID 14898771) is 2-[5-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-oxadiazol-3-yl]ethanol.
What is the SMILES notation for 2-[5-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-oxadiazol-3-yl]ethanol?
The canonical SMILES for 2-[5-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-oxadiazol-3-yl]ethanol is OCCc1noc(C2=CCCNC2)n1.
What is the InChIKey of 2-[5-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-oxadiazol-3-yl]ethanol?
The InChIKey is TVHMCKCQSSLHSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c13-5-3-8-11-9(14-12-8)7-2-1-4-10-6-7/h2,10,13H,1,3-6H2.
What are the key properties of 2-[5-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-oxadiazol-3-yl]ethanol?
2-[5-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-oxadiazol-3-yl]ethanol has a molecular weight of 195.22 g/mol, XLogP of -0.02, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-oxadiazol-3-yl]ethanol is sourced from PubChem (CID 14898771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).