2-[2-[(5-piperidin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethoxy]ethanol

C11H19N3O3S — CID 112751764

IUPAC2-[2-[(5-piperidin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethoxy]ethanol
SMILESOCCOCCSc1nnc(C2CCCNC2)o1
InChIInChI=1S/C11H19N3O3S/c15-4-5-16-6-7-18-11-14-13-10(17-11)9-2-1-3-12-8-9/h9,12,15H,1-8H2
InChIKeyZJVUTRWRYZCNTN-UHFFFAOYSA-N
MW273.36 g/mol
LogP0.64
Rot. Bonds7

About 2-[2-[(5-piperidin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethoxy]ethanol

2-[2-[(5-piperidin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethoxy]ethanol (PubChem CID 112751764) has the molecular formula C11H19N3O3S and a molecular weight of 273.36 g/mol. Its IUPAC name is 2-[2-[(5-piperidin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[(5-piperidin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethoxy]ethanol
PubChem CID112751764
Molecular FormulaC11H19N3O3S
Molecular Weight273.36 g/mol
Exact Mass273.11
IUPAC Name2-[2-[(5-piperidin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethoxy]ethanol
SMILESOCCOCCSc1nnc(C2CCCNC2)o1
InChIInChI=1S/C11H19N3O3S/c15-4-5-16-6-7-18-11-14-13-10(17-11)9-2-1-3-12-8-9/h9,12,15H,1-8H2
InChIKeyZJVUTRWRYZCNTN-UHFFFAOYSA-N
XLogP0.64
TPSA80.41 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

5-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]pentan-1-ol
CID 110911807
methyl 5-piperidin-3-yl-1,3,4-oxadiazole-2-carboxylate
CID 105464818
4-[2-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethoxy]benzonitrile
CID 30704688
2-piperidin-3-yl-5-pyrrolidin-1-yl-1,3,4-oxadiazole
CID 82473056
5-piperidin-3-yl-1,3,4-oxadiazole-2-carbaldehyde
CID 82668755
2-[(3S)-piperidin-3-yl]-5-propan-2-yl-1,3,4-oxadiazole
CID 96656863
3-[[5-[(3R)-1,1-dioxothiolan-3-yl]-1,3,4-oxadiazol-2-yl]sulfanyl]propan-1-ol
CID 9389121
2-(azepan-3-yl)-5-ethyl-1,3,4-oxadiazole
CID 84666395
2-(4-methylphenyl)-5-[(3S)-piperidin-3-yl]-1,3,4-oxadiazole
CID 39347689
2-(2-piperidin-3-ylethoxy)ethanol
CID 104680589
1-[(3S)-3-[5-[(3S)-piperidin-3-yl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]propan-1-one
CID 124956744
N-tert-butyl-5-piperidin-3-yl-1,3,4-oxadiazol-2-amine
CID 110456060

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(5-piperidin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethoxy]ethanol?
The IUPAC name of 2-[2-[(5-piperidin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethoxy]ethanol (CID 112751764) is 2-[2-[(5-piperidin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[(5-piperidin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethoxy]ethanol?
The canonical SMILES for 2-[2-[(5-piperidin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethoxy]ethanol is OCCOCCSc1nnc(C2CCCNC2)o1.
What is the InChIKey of 2-[2-[(5-piperidin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethoxy]ethanol?
The InChIKey is ZJVUTRWRYZCNTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3S/c15-4-5-16-6-7-18-11-14-13-10(17-11)9-2-1-3-12-8-9/h9,12,15H,1-8H2.
What are the key properties of 2-[2-[(5-piperidin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethoxy]ethanol?
2-[2-[(5-piperidin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethoxy]ethanol has a molecular weight of 273.36 g/mol, XLogP of 0.64, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(5-piperidin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethoxy]ethanol is sourced from PubChem (CID 112751764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).