2-[5-(2-pyrrolidin-1-ylethyl)-1,2,4-oxadiazol-3-yl]ethanamine

C10H18N4O — CID 115079506

IUPAC2-[5-(2-pyrrolidin-1-ylethyl)-1,2,4-oxadiazol-3-yl]ethanamine
SMILESNCCc1noc(CCN2CCCC2)n1
InChIInChI=1S/C10H18N4O/c11-5-3-9-12-10(15-13-9)4-8-14-6-1-2-7-14/h1-8,11H2
InChIKeyKNRAZLQJVKNCEI-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.21
Rot. Bonds5

About 2-[5-(2-pyrrolidin-1-ylethyl)-1,2,4-oxadiazol-3-yl]ethanamine

2-[5-(2-pyrrolidin-1-ylethyl)-1,2,4-oxadiazol-3-yl]ethanamine (PubChem CID 115079506) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is 2-[5-(2-pyrrolidin-1-ylethyl)-1,2,4-oxadiazol-3-yl]ethanamine.

Molecular Properties

Compound Name2-[5-(2-pyrrolidin-1-ylethyl)-1,2,4-oxadiazol-3-yl]ethanamine
PubChem CID115079506
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name2-[5-(2-pyrrolidin-1-ylethyl)-1,2,4-oxadiazol-3-yl]ethanamine
SMILESNCCc1noc(CCN2CCCC2)n1
InChIInChI=1S/C10H18N4O/c11-5-3-9-12-10(15-13-9)4-8-14-6-1-2-7-14/h1-8,11H2
InChIKeyKNRAZLQJVKNCEI-UHFFFAOYSA-N
XLogP0.21
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-2-[5-(2-piperidin-1-ylethyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 115079552
N-methyl-2-[3-(2-piperidin-1-ylethyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 115081538
2-[5-(2-cyclohexylethyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 61336068
3-methyl-7-[2-[5-(2-piperidin-1-ylethyl)-1,2,4-oxadiazol-3-yl]ethyl]purine-2,6-dione
CID 14748461
2-[5-[2-(methylamino)ethyl]-1,2,4-oxadiazol-3-yl]ethanamine
CID 174282518
3-[3-[(1-propan-2-ylpiperidin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 115081652
2-[5-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,2,4-oxadiazol-3-yl]ethanamine
CID 115077578
3-phenyl-5-(2-pyrrolidin-1-ylethyl)-1,2,4-oxadiazole
CID 154128947
3-methyl-7-[3-[5-(2-piperidin-1-ylethyl)-1,2,4-oxadiazol-3-yl]propyl]purine-2,6-dione
CID 14748483
2-(3-butyl-1,2,4-oxadiazol-5-yl)ethanamine
CID 79002327
3-(cyclopropylmethyl)-5-(piperidin-1-ylmethyl)-1,2,4-oxadiazole
CID 166250872
[3-(2-morpholin-4-ylethyl)-1,2,4-oxadiazol-5-yl]methanol
CID 115080018

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-pyrrolidin-1-ylethyl)-1,2,4-oxadiazol-3-yl]ethanamine?
The IUPAC name of 2-[5-(2-pyrrolidin-1-ylethyl)-1,2,4-oxadiazol-3-yl]ethanamine (CID 115079506) is 2-[5-(2-pyrrolidin-1-ylethyl)-1,2,4-oxadiazol-3-yl]ethanamine.
What is the SMILES notation for 2-[5-(2-pyrrolidin-1-ylethyl)-1,2,4-oxadiazol-3-yl]ethanamine?
The canonical SMILES for 2-[5-(2-pyrrolidin-1-ylethyl)-1,2,4-oxadiazol-3-yl]ethanamine is NCCc1noc(CCN2CCCC2)n1.
What is the InChIKey of 2-[5-(2-pyrrolidin-1-ylethyl)-1,2,4-oxadiazol-3-yl]ethanamine?
The InChIKey is KNRAZLQJVKNCEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c11-5-3-9-12-10(15-13-9)4-8-14-6-1-2-7-14/h1-8,11H2.
What are the key properties of 2-[5-(2-pyrrolidin-1-ylethyl)-1,2,4-oxadiazol-3-yl]ethanamine?
2-[5-(2-pyrrolidin-1-ylethyl)-1,2,4-oxadiazol-3-yl]ethanamine has a molecular weight of 210.28 g/mol, XLogP of 0.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-pyrrolidin-1-ylethyl)-1,2,4-oxadiazol-3-yl]ethanamine is sourced from PubChem (CID 115079506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).