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

C9H16N4O — CID 55252570

IUPAC2-[3-(pyrrolidin-1-ylmethyl)-1,2,4-oxadiazol-5-yl]ethanamine
SMILESNCCc1nc(CN2CCCC2)no1
InChIInChI=1S/C9H16N4O/c10-4-3-9-11-8(12-14-9)7-13-5-1-2-6-13/h1-7,10H2
InChIKeyXZVCINMJOLKOBT-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.17
Rot. Bonds4

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

2-[3-(pyrrolidin-1-ylmethyl)-1,2,4-oxadiazol-5-yl]ethanamine (PubChem CID 55252570) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 2-[3-(pyrrolidin-1-ylmethyl)-1,2,4-oxadiazol-5-yl]ethanamine.

Molecular Properties

Compound Name2-[3-(pyrrolidin-1-ylmethyl)-1,2,4-oxadiazol-5-yl]ethanamine
PubChem CID55252570
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name2-[3-(pyrrolidin-1-ylmethyl)-1,2,4-oxadiazol-5-yl]ethanamine
SMILESNCCc1nc(CN2CCCC2)no1
InChIInChI=1S/C9H16N4O/c10-4-3-9-11-8(12-14-9)7-13-5-1-2-6-13/h1-7,10H2
InChIKeyXZVCINMJOLKOBT-UHFFFAOYSA-N
XLogP0.17
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(pyrrolidin-1-ylmethyl)-1,2,4-oxadiazol-5-yl]ethanamine?
The IUPAC name of 2-[3-(pyrrolidin-1-ylmethyl)-1,2,4-oxadiazol-5-yl]ethanamine (CID 55252570) is 2-[3-(pyrrolidin-1-ylmethyl)-1,2,4-oxadiazol-5-yl]ethanamine.
What is the SMILES notation for 2-[3-(pyrrolidin-1-ylmethyl)-1,2,4-oxadiazol-5-yl]ethanamine?
The canonical SMILES for 2-[3-(pyrrolidin-1-ylmethyl)-1,2,4-oxadiazol-5-yl]ethanamine is NCCc1nc(CN2CCCC2)no1.
What is the InChIKey of 2-[3-(pyrrolidin-1-ylmethyl)-1,2,4-oxadiazol-5-yl]ethanamine?
The InChIKey is XZVCINMJOLKOBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c10-4-3-9-11-8(12-14-9)7-13-5-1-2-6-13/h1-7,10H2.
What are the key properties of 2-[3-(pyrrolidin-1-ylmethyl)-1,2,4-oxadiazol-5-yl]ethanamine?
2-[3-(pyrrolidin-1-ylmethyl)-1,2,4-oxadiazol-5-yl]ethanamine has a molecular weight of 196.25 g/mol, XLogP of 0.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(pyrrolidin-1-ylmethyl)-1,2,4-oxadiazol-5-yl]ethanamine is sourced from PubChem (CID 55252570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).