3-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]piperidin-3-ol

C11H19N3O3 — CID 106950231

IUPAC3-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]piperidin-3-ol
SMILESCOCCCc1noc(C2(O)CCCNC2)n1
InChIInChI=1S/C11H19N3O3/c1-16-7-2-4-9-13-10(17-14-9)11(15)5-3-6-12-8-11/h12,15H,2-8H2,1H3
InChIKeyYOJRRORUQKBSBN-UHFFFAOYSA-N
MW241.29 g/mol
LogP0.22
Rot. Bonds5

About 3-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]piperidin-3-ol

3-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]piperidin-3-ol (PubChem CID 106950231) has the molecular formula C11H19N3O3 and a molecular weight of 241.29 g/mol. Its IUPAC name is 3-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]piperidin-3-ol.

Molecular Properties

Compound Name3-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]piperidin-3-ol
PubChem CID106950231
Molecular FormulaC11H19N3O3
Molecular Weight241.29 g/mol
Exact Mass241.14
IUPAC Name3-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]piperidin-3-ol
SMILESCOCCCc1noc(C2(O)CCCNC2)n1
InChIInChI=1S/C11H19N3O3/c1-16-7-2-4-9-13-10(17-14-9)11(15)5-3-6-12-8-11/h12,15H,2-8H2,1H3
InChIKeyYOJRRORUQKBSBN-UHFFFAOYSA-N
XLogP0.22
TPSA80.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[3-(2-hydroxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-3-ol
CID 106950434
3-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 106743729
1-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-amine
CID 65094591
3-[3-[(3,5-dimethylphenyl)methyl]-1,2,4-oxadiazol-5-yl]piperidin-3-ol
CID 106950179
3-[3-(cyclopentylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]piperidin-3-ol
CID 106950241
3-[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 106743346
3-[3-(ethoxymethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 106743499
2-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]-2-methylcyclopentan-1-amine
CID 82762266
ethyl 1-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylate
CID 79472255
3-(methoxymethyl)-5-(3-methylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 63145186
3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-3-ol
CID 106950086
3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol;hydrochloride
CID 86775615

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]piperidin-3-ol?
The IUPAC name of 3-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]piperidin-3-ol (CID 106950231) is 3-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]piperidin-3-ol.
What is the SMILES notation for 3-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]piperidin-3-ol?
The canonical SMILES for 3-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]piperidin-3-ol is COCCCc1noc(C2(O)CCCNC2)n1.
What is the InChIKey of 3-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]piperidin-3-ol?
The InChIKey is YOJRRORUQKBSBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3/c1-16-7-2-4-9-13-10(17-14-9)11(15)5-3-6-12-8-11/h12,15H,2-8H2,1H3.
What are the key properties of 3-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]piperidin-3-ol?
3-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]piperidin-3-ol has a molecular weight of 241.29 g/mol, XLogP of 0.22, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]piperidin-3-ol is sourced from PubChem (CID 106950231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).