[3-(1-pyrrol-1-ylcyclopentyl)-1,2,4-oxadiazol-5-yl]methanamine

C12H16N4O — CID 121210246

IUPAC[3-(1-pyrrol-1-ylcyclopentyl)-1,2,4-oxadiazol-5-yl]methanamine
SMILESNCc1nc(C2(n3cccc3)CCCC2)no1
InChIInChI=1S/C12H16N4O/c13-9-10-14-11(15-17-10)12(5-1-2-6-12)16-7-3-4-8-16/h3-4,7-8H,1-2,5-6,9,13H2
InChIKeyPUQCJXFATOXZKQ-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.65
Rot. Bonds3

About [3-(1-pyrrol-1-ylcyclopentyl)-1,2,4-oxadiazol-5-yl]methanamine

[3-(1-pyrrol-1-ylcyclopentyl)-1,2,4-oxadiazol-5-yl]methanamine (PubChem CID 121210246) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is [3-(1-pyrrol-1-ylcyclopentyl)-1,2,4-oxadiazol-5-yl]methanamine.

Molecular Properties

Compound Name[3-(1-pyrrol-1-ylcyclopentyl)-1,2,4-oxadiazol-5-yl]methanamine
PubChem CID121210246
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name[3-(1-pyrrol-1-ylcyclopentyl)-1,2,4-oxadiazol-5-yl]methanamine
SMILESNCc1nc(C2(n3cccc3)CCCC2)no1
InChIInChI=1S/C12H16N4O/c13-9-10-14-11(15-17-10)12(5-1-2-6-12)16-7-3-4-8-16/h3-4,7-8H,1-2,5-6,9,13H2
InChIKeyPUQCJXFATOXZKQ-UHFFFAOYSA-N
XLogP1.65
TPSA69.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-(1-pyrrol-1-ylcyclopentyl)-1,2,4-oxadiazol-5-yl]methanamine?
The IUPAC name of [3-(1-pyrrol-1-ylcyclopentyl)-1,2,4-oxadiazol-5-yl]methanamine (CID 121210246) is [3-(1-pyrrol-1-ylcyclopentyl)-1,2,4-oxadiazol-5-yl]methanamine.
What is the SMILES notation for [3-(1-pyrrol-1-ylcyclopentyl)-1,2,4-oxadiazol-5-yl]methanamine?
The canonical SMILES for [3-(1-pyrrol-1-ylcyclopentyl)-1,2,4-oxadiazol-5-yl]methanamine is NCc1nc(C2(n3cccc3)CCCC2)no1.
What is the InChIKey of [3-(1-pyrrol-1-ylcyclopentyl)-1,2,4-oxadiazol-5-yl]methanamine?
The InChIKey is PUQCJXFATOXZKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c13-9-10-14-11(15-17-10)12(5-1-2-6-12)16-7-3-4-8-16/h3-4,7-8H,1-2,5-6,9,13H2.
What are the key properties of [3-(1-pyrrol-1-ylcyclopentyl)-1,2,4-oxadiazol-5-yl]methanamine?
[3-(1-pyrrol-1-ylcyclopentyl)-1,2,4-oxadiazol-5-yl]methanamine has a molecular weight of 232.29 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-pyrrol-1-ylcyclopentyl)-1,2,4-oxadiazol-5-yl]methanamine is sourced from PubChem (CID 121210246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).