5-[(1-ethylpyrrolidin-3-yl)methyl]-1,2,4-oxadiazol-3-amine

C9H16N4O — CID 115077247

IUPAC5-[(1-ethylpyrrolidin-3-yl)methyl]-1,2,4-oxadiazol-3-amine
SMILESCCN1CCC(Cc2nc(N)no2)C1
InChIInChI=1S/C9H16N4O/c1-2-13-4-3-7(6-13)5-8-11-9(10)12-14-8/h7H,2-6H2,1H3,(H2,10,12)
InChIKeyWGPSGYRECFHVQY-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.54
Rot. Bonds3

About 5-[(1-ethylpyrrolidin-3-yl)methyl]-1,2,4-oxadiazol-3-amine

5-[(1-ethylpyrrolidin-3-yl)methyl]-1,2,4-oxadiazol-3-amine (PubChem CID 115077247) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 5-[(1-ethylpyrrolidin-3-yl)methyl]-1,2,4-oxadiazol-3-amine.

Molecular Properties

Compound Name5-[(1-ethylpyrrolidin-3-yl)methyl]-1,2,4-oxadiazol-3-amine
PubChem CID115077247
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name5-[(1-ethylpyrrolidin-3-yl)methyl]-1,2,4-oxadiazol-3-amine
SMILESCCN1CCC(Cc2nc(N)no2)C1
InChIInChI=1S/C9H16N4O/c1-2-13-4-3-7(6-13)5-8-11-9(10)12-14-8/h7H,2-6H2,1H3,(H2,10,12)
InChIKeyWGPSGYRECFHVQY-UHFFFAOYSA-N
XLogP0.54
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 ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-[(1-ethylpyrrolidin-3-yl)methyl]-1,2,4-oxadiazol-3-yl]ethanamine
CID 115077367
[5-[(1-ethylpiperidin-3-yl)methyl]-1,2,4-oxadiazol-3-yl]methanamine
CID 115078590
5-[(1-ethylpyrrolidin-3-yl)methyl]-3-piperidin-4-yl-1,2,4-oxadiazole
CID 115077313
2-[3-[(1-ethylpyrrolidin-3-yl)methyl]-1,2,4-oxadiazol-5-yl]ethanol
CID 115080219
2-[5-[(1-ethylpiperidin-3-yl)methyl]-1,2,4-oxadiazol-3-yl]ethanol
CID 115078517
5-(cycloheptylmethyl)-1,2,4-oxadiazol-3-amine
CID 114458859
5-[(1-ethylpyrrolidin-3-yl)methyl]-1,2-oxazol-4-amine
CID 115093385
3-[5-[(1-ethylpiperidin-3-yl)methyl]-1,2,4-oxadiazol-3-yl]propanoic acid
CID 115078658
3-[2-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-oxazol-4-yl]propan-1-amine
CID 115082404
5-[(3-ethoxycyclobutyl)methyl]-1,2,4-oxadiazol-3-amine
CID 103166250
3-[5-[(1-ethylpiperidin-4-yl)methyl]-1,2,4-oxadiazol-3-yl]propanoic acid
CID 115077615
[2-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-thiazol-5-yl]methanamine
CID 115090087

Frequently Asked Questions

What is the IUPAC name of 5-[(1-ethylpyrrolidin-3-yl)methyl]-1,2,4-oxadiazol-3-amine?
The IUPAC name of 5-[(1-ethylpyrrolidin-3-yl)methyl]-1,2,4-oxadiazol-3-amine (CID 115077247) is 5-[(1-ethylpyrrolidin-3-yl)methyl]-1,2,4-oxadiazol-3-amine.
What is the SMILES notation for 5-[(1-ethylpyrrolidin-3-yl)methyl]-1,2,4-oxadiazol-3-amine?
The canonical SMILES for 5-[(1-ethylpyrrolidin-3-yl)methyl]-1,2,4-oxadiazol-3-amine is CCN1CCC(Cc2nc(N)no2)C1.
What is the InChIKey of 5-[(1-ethylpyrrolidin-3-yl)methyl]-1,2,4-oxadiazol-3-amine?
The InChIKey is WGPSGYRECFHVQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-2-13-4-3-7(6-13)5-8-11-9(10)12-14-8/h7H,2-6H2,1H3,(H2,10,12).
What are the key properties of 5-[(1-ethylpyrrolidin-3-yl)methyl]-1,2,4-oxadiazol-3-amine?
5-[(1-ethylpyrrolidin-3-yl)methyl]-1,2,4-oxadiazol-3-amine has a molecular weight of 196.25 g/mol, XLogP of 0.54, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-ethylpyrrolidin-3-yl)methyl]-1,2,4-oxadiazol-3-amine is sourced from PubChem (CID 115077247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).