[3-[(2,3-dimethylpyrrolidin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine

C10H18N4O — CID 120752368

IUPAC[3-[(2,3-dimethylpyrrolidin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine
SMILESCC1CCN(Cc2noc(CN)n2)C1C
InChIInChI=1S/C10H18N4O/c1-7-3-4-14(8(7)2)6-9-12-10(5-11)15-13-9/h7-8H,3-6,11H2,1-2H3
InChIKeyZDVJOQYSSFMJND-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.76
Rot. Bonds3

About [3-[(2,3-dimethylpyrrolidin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine

[3-[(2,3-dimethylpyrrolidin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine (PubChem CID 120752368) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is [3-[(2,3-dimethylpyrrolidin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine.

Molecular Properties

Compound Name[3-[(2,3-dimethylpyrrolidin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine
PubChem CID120752368
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name[3-[(2,3-dimethylpyrrolidin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine
SMILESCC1CCN(Cc2noc(CN)n2)C1C
InChIInChI=1S/C10H18N4O/c1-7-3-4-14(8(7)2)6-9-12-10(5-11)15-13-9/h7-8H,3-6,11H2,1-2H3
InChIKeyZDVJOQYSSFMJND-UHFFFAOYSA-N
XLogP0.76
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-[(3-methylpiperidin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 120750400
[3-[(2-cyclobutylpyrrolidin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 120751601
[3-[(2-methylthiomorpholin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride
CID 120751752
[3-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 114218062
[3-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride
CID 120751780
N-[[1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]methyl]-N-ethylethanamine
CID 120752659
1-[1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]ethanol
CID 114218079
[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-3-methylpyrrolidin-2-yl]methanol
CID 102788969
[3-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 120752742
[3-[[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 120752744
[3-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine;dihydrochloride
CID 120752741
[5-[(2-methylpyrrolidin-1-yl)methyl]-1,2,4-oxadiazol-3-yl]methanamine
CID 130693812

Frequently Asked Questions

What is the IUPAC name of [3-[(2,3-dimethylpyrrolidin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine?
The IUPAC name of [3-[(2,3-dimethylpyrrolidin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine (CID 120752368) is [3-[(2,3-dimethylpyrrolidin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine.
What is the SMILES notation for [3-[(2,3-dimethylpyrrolidin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine?
The canonical SMILES for [3-[(2,3-dimethylpyrrolidin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine is CC1CCN(Cc2noc(CN)n2)C1C.
What is the InChIKey of [3-[(2,3-dimethylpyrrolidin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine?
The InChIKey is ZDVJOQYSSFMJND-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-7-3-4-14(8(7)2)6-9-12-10(5-11)15-13-9/h7-8H,3-6,11H2,1-2H3.
What are the key properties of [3-[(2,3-dimethylpyrrolidin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine?
[3-[(2,3-dimethylpyrrolidin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine has a molecular weight of 210.28 g/mol, XLogP of 0.76, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2,3-dimethylpyrrolidin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine is sourced from PubChem (CID 120752368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).