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

C10H18N4O — CID 120751603

IUPAC[3-[(2,2-dimethylpyrrolidin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine
SMILESCC1(C)CCCN1Cc1noc(CN)n1
InChIInChI=1S/C10H18N4O/c1-10(2)4-3-5-14(10)7-8-12-9(6-11)15-13-8/h3-7,11H2,1-2H3
InChIKeyXSASQXPUAPVNCL-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.90
Rot. Bonds3

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

[3-[(2,2-dimethylpyrrolidin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine (PubChem CID 120751603) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is [3-[(2,2-dimethylpyrrolidin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine.

Molecular Properties

Compound Name[3-[(2,2-dimethylpyrrolidin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine
PubChem CID120751603
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name[3-[(2,2-dimethylpyrrolidin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine
SMILESCC1(C)CCCN1Cc1noc(CN)n1
InChIInChI=1S/C10H18N4O/c1-10(2)4-3-5-14(10)7-8-12-9(6-11)15-13-8/h3-7,11H2,1-2H3
InChIKeyXSASQXPUAPVNCL-UHFFFAOYSA-N
XLogP0.90
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 ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-[(3-ethyl-3-methylpyrrolidin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 120752310
[3-[(2,2-dimethylmorpholin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride
CID 120751207
1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 114218082
[3-[(3-methylpiperidin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 120750400
[3-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride
CID 120751780
[3-(1-thia-4-azaspiro[5.5]undecan-4-ylmethyl)-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride
CID 120752271
[3-[(2-cyclobutylpyrrolidin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 120751601
[3-[(2,3-dimethylpyrrolidin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 120752368
1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106978863
[3-[(4-cyclopentyloxypiperidin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 120751593
[3-(pyrrol-1-ylmethyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 121210241
1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N,N-dimethylpiperidin-3-amine;dihydrochloride
CID 120752789

Frequently Asked Questions

What is the IUPAC name of [3-[(2,2-dimethylpyrrolidin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine?
The IUPAC name of [3-[(2,2-dimethylpyrrolidin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine (CID 120751603) is [3-[(2,2-dimethylpyrrolidin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine.
What is the SMILES notation for [3-[(2,2-dimethylpyrrolidin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine?
The canonical SMILES for [3-[(2,2-dimethylpyrrolidin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine is CC1(C)CCCN1Cc1noc(CN)n1.
What is the InChIKey of [3-[(2,2-dimethylpyrrolidin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine?
The InChIKey is XSASQXPUAPVNCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-10(2)4-3-5-14(10)7-8-12-9(6-11)15-13-8/h3-7,11H2,1-2H3.
What are the key properties of [3-[(2,2-dimethylpyrrolidin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine?
[3-[(2,2-dimethylpyrrolidin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine has a molecular weight of 210.28 g/mol, XLogP of 0.90, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2,2-dimethylpyrrolidin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine is sourced from PubChem (CID 120751603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).