[1-[1-(1,2,4-oxadiazol-3-yl)ethyl]pyrrolidin-3-yl]methanamine

C9H16N4O — CID 131198030

IUPAC[1-[1-(1,2,4-oxadiazol-3-yl)ethyl]pyrrolidin-3-yl]methanamine
SMILESCC(c1ncon1)N1CCC(CN)C1
InChIInChI=1S/C9H16N4O/c1-7(9-11-6-14-12-9)13-3-2-8(4-10)5-13/h6-8H,2-5,10H2,1H3
InChIKeyRNZYIVUQLHVXPT-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.41
Rot. Bonds3

About [1-[1-(1,2,4-oxadiazol-3-yl)ethyl]pyrrolidin-3-yl]methanamine

[1-[1-(1,2,4-oxadiazol-3-yl)ethyl]pyrrolidin-3-yl]methanamine (PubChem CID 131198030) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is [1-[1-(1,2,4-oxadiazol-3-yl)ethyl]pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-[1-(1,2,4-oxadiazol-3-yl)ethyl]pyrrolidin-3-yl]methanamine
PubChem CID131198030
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name[1-[1-(1,2,4-oxadiazol-3-yl)ethyl]pyrrolidin-3-yl]methanamine
SMILESCC(c1ncon1)N1CCC(CN)C1
InChIInChI=1S/C9H16N4O/c1-7(9-11-6-14-12-9)13-3-2-8(4-10)5-13/h6-8H,2-5,10H2,1H3
InChIKeyRNZYIVUQLHVXPT-UHFFFAOYSA-N
XLogP0.41
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(3R)-1-[(1S)-1-pyridin-2-ylethyl]pyrrolidin-3-yl]methanamine
CID 93096967
[(3S)-1-[(1S)-1-pyrazin-2-ylethyl]pyrrolidin-3-yl]methanamine
CID 98085597
[(3R)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]methanamine
CID 2237132
[(3S)-1-[(1S)-1-(furan-2-yl)ethyl]pyrrolidin-3-yl]methanamine
CID 98085589
[1-[1-(1,3-benzodioxol-5-yl)ethyl]pyrrolidin-3-yl]methanamine
CID 55029462
[1-[1-(2,4,6-trimethylphenyl)ethyl]pyrrolidin-3-yl]methanamine
CID 62068815
[1-[1-(3-methylphenyl)ethyl]pyrrolidin-3-yl]methanamine;hydrochloride
CID 119918135
[(3S)-1-[(1R)-1-(1,3-thiazol-2-yl)ethyl]piperidin-3-yl]methanamine
CID 98085621
[1-(1-cyclopentylethyl)pyrrolidin-3-yl]methanamine
CID 62632841
2-[3-(aminomethyl)pyrrolidin-1-yl]-N,N-dimethylpropan-1-amine
CID 115492059
[1-(1-imidazol-1-ylpropan-2-yl)pyrrolidin-3-yl]methanamine
CID 61482680
2-[(3S)-1-propan-2-ylpyrrolidin-3-yl]ethanamine
CID 94058250

Frequently Asked Questions

What is the IUPAC name of [1-[1-(1,2,4-oxadiazol-3-yl)ethyl]pyrrolidin-3-yl]methanamine?
The IUPAC name of [1-[1-(1,2,4-oxadiazol-3-yl)ethyl]pyrrolidin-3-yl]methanamine (CID 131198030) is [1-[1-(1,2,4-oxadiazol-3-yl)ethyl]pyrrolidin-3-yl]methanamine.
What is the SMILES notation for [1-[1-(1,2,4-oxadiazol-3-yl)ethyl]pyrrolidin-3-yl]methanamine?
The canonical SMILES for [1-[1-(1,2,4-oxadiazol-3-yl)ethyl]pyrrolidin-3-yl]methanamine is CC(c1ncon1)N1CCC(CN)C1.
What is the InChIKey of [1-[1-(1,2,4-oxadiazol-3-yl)ethyl]pyrrolidin-3-yl]methanamine?
The InChIKey is RNZYIVUQLHVXPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-7(9-11-6-14-12-9)13-3-2-8(4-10)5-13/h6-8H,2-5,10H2,1H3.
What are the key properties of [1-[1-(1,2,4-oxadiazol-3-yl)ethyl]pyrrolidin-3-yl]methanamine?
[1-[1-(1,2,4-oxadiazol-3-yl)ethyl]pyrrolidin-3-yl]methanamine has a molecular weight of 196.25 g/mol, XLogP of 0.41, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[1-(1,2,4-oxadiazol-3-yl)ethyl]pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 131198030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).