3-[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol

C11H19N3O2 — CID 106743346

IUPAC3-[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
SMILESCC(C)CCc1noc(C2(O)CCNC2)n1
InChIInChI=1S/C11H19N3O2/c1-8(2)3-4-9-13-10(16-14-9)11(15)5-6-12-7-11/h8,12,15H,3-7H2,1-2H3
InChIKeyZQAZPQPKZFNOQD-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.84
Rot. Bonds4

About 3-[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol

3-[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol (PubChem CID 106743346) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 3-[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol.

Molecular Properties

Compound Name3-[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
PubChem CID106743346
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name3-[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
SMILESCC(C)CCc1noc(C2(O)CCNC2)n1
InChIInChI=1S/C11H19N3O2/c1-8(2)3-4-9-13-10(16-14-9)11(15)5-6-12-7-11/h8,12,15H,3-7H2,1-2H3
InChIKeyZQAZPQPKZFNOQD-UHFFFAOYSA-N
XLogP0.84
TPSA71.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-methylbutyl)-5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 63710522
3-(3-methylbutyl)-5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 55165950
3-[3-(ethoxymethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 106743499
3-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 106743729
3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol;hydrochloride
CID 86775615
3-[3-(2-hydroxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-3-ol
CID 106950434
3-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 106743289
3-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]piperidin-3-ol
CID 106950231
4-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]piperidin-4-ol
CID 106950309
3-[3-[(4-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 106743507
3-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 106743618
5-(2-ethylpyrrolidin-2-yl)-3-(3-methylbutyl)-1,2,4-oxadiazole
CID 83070737

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol?
The IUPAC name of 3-[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol (CID 106743346) is 3-[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol.
What is the SMILES notation for 3-[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol?
The canonical SMILES for 3-[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol is CC(C)CCc1noc(C2(O)CCNC2)n1.
What is the InChIKey of 3-[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol?
The InChIKey is ZQAZPQPKZFNOQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-8(2)3-4-9-13-10(16-14-9)11(15)5-6-12-7-11/h8,12,15H,3-7H2,1-2H3.
What are the key properties of 3-[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol?
3-[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol has a molecular weight of 225.29 g/mol, XLogP of 0.84, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol is sourced from PubChem (CID 106743346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).