(1S)-1-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)ethanamine

C8H14N4O — CID 104899950

IUPAC(1S)-1-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)ethanamine
SMILESC[C@H](N)c1nc(N2CCCC2)no1
InChIInChI=1S/C8H14N4O/c1-6(9)7-10-8(11-13-7)12-4-2-3-5-12/h6H,2-5,9H2,1H3/t6-/m0/s1
InChIKeyKLLKFJJEGVJMMC-LURJTMIESA-N
MW182.23 g/mol
LogP0.69
Rot. Bonds2

About (1S)-1-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)ethanamine

(1S)-1-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)ethanamine (PubChem CID 104899950) has the molecular formula C8H14N4O and a molecular weight of 182.23 g/mol. Its IUPAC name is (1S)-1-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)ethanamine.

Molecular Properties

Compound Name(1S)-1-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)ethanamine
PubChem CID104899950
Molecular FormulaC8H14N4O
Molecular Weight182.23 g/mol
Exact Mass182.12
IUPAC Name(1S)-1-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)ethanamine
SMILESC[C@H](N)c1nc(N2CCCC2)no1
InChIInChI=1S/C8H14N4O/c1-6(9)7-10-8(11-13-7)12-4-2-3-5-12/h6H,2-5,9H2,1H3/t6-/m0/s1
InChIKeyKLLKFJJEGVJMMC-LURJTMIESA-N
XLogP0.69
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)ethanamine?
The IUPAC name of (1S)-1-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)ethanamine (CID 104899950) is (1S)-1-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)ethanamine.
What is the SMILES notation for (1S)-1-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)ethanamine?
The canonical SMILES for (1S)-1-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)ethanamine is C[C@H](N)c1nc(N2CCCC2)no1.
What is the InChIKey of (1S)-1-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)ethanamine?
The InChIKey is KLLKFJJEGVJMMC-LURJTMIESA-N. The full InChI is InChI=1S/C8H14N4O/c1-6(9)7-10-8(11-13-7)12-4-2-3-5-12/h6H,2-5,9H2,1H3/t6-/m0/s1.
What are the key properties of (1S)-1-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)ethanamine?
(1S)-1-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)ethanamine has a molecular weight of 182.23 g/mol, XLogP of 0.69, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)ethanamine is sourced from PubChem (CID 104899950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).