[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-3-methylpyrrolidin-2-yl]methanol

C11H19N3O2 — CID 102788969

IUPAC[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-3-methylpyrrolidin-2-yl]methanol
SMILESCCc1nc(CN2CCC(C)C2CO)no1
InChIInChI=1S/C11H19N3O2/c1-3-11-12-10(13-16-11)6-14-5-4-8(2)9(14)7-15/h8-9,15H,3-7H2,1-2H3
InChIKeySDWAACUVBWACBB-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.83
Rot. Bonds4

About [1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-3-methylpyrrolidin-2-yl]methanol

[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-3-methylpyrrolidin-2-yl]methanol (PubChem CID 102788969) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is [1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-3-methylpyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-3-methylpyrrolidin-2-yl]methanol
PubChem CID102788969
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-3-methylpyrrolidin-2-yl]methanol
SMILESCCc1nc(CN2CCC(C)C2CO)no1
InChIInChI=1S/C11H19N3O2/c1-3-11-12-10(13-16-11)6-14-5-4-8(2)9(14)7-15/h8-9,15H,3-7H2,1-2H3
InChIKeySDWAACUVBWACBB-UHFFFAOYSA-N
XLogP0.83
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-methyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-2-yl]methanol
CID 102788283
[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methylpyrrolidin-2-yl]methanol
CID 102788281
[3-methyl-1-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]methanol
CID 102789048
[3-[(2,3-dimethylpyrrolidin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 120752368
N-[[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]methyl]ethanamine;hydrochloride
CID 119927948
5-ethyl-3-[[2-(trifluoromethyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
CID 126836051
(3S)-1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-ol
CID 107225702
[3-methyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]methanol
CID 102788285
N-[[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]methyl]propan-1-amine
CID 63847714
1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-4-carbaldehyde
CID 62655744
[1-[(5-butyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-yl]methanol
CID 110903092
1-[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-2-methylpropan-2-ol
CID 63101300

Frequently Asked Questions

What is the IUPAC name of [1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-3-methylpyrrolidin-2-yl]methanol?
The IUPAC name of [1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-3-methylpyrrolidin-2-yl]methanol (CID 102788969) is [1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-3-methylpyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-3-methylpyrrolidin-2-yl]methanol?
The canonical SMILES for [1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-3-methylpyrrolidin-2-yl]methanol is CCc1nc(CN2CCC(C)C2CO)no1.
What is the InChIKey of [1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-3-methylpyrrolidin-2-yl]methanol?
The InChIKey is SDWAACUVBWACBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-3-11-12-10(13-16-11)6-14-5-4-8(2)9(14)7-15/h8-9,15H,3-7H2,1-2H3.
What are the key properties of [1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-3-methylpyrrolidin-2-yl]methanol?
[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-3-methylpyrrolidin-2-yl]methanol has a molecular weight of 225.29 g/mol, XLogP of 0.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-3-methylpyrrolidin-2-yl]methanol is sourced from PubChem (CID 102788969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).