5-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-3-pyridin-4-yl-1,2,4-oxadiazole

C14H16N4O — CID 102894474

IUPAC5-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-3-pyridin-4-yl-1,2,4-oxadiazole
SMILESc1cc(-c2noc(C3NCC4CCCC43)n2)ccn1
InChIInChI=1S/C14H16N4O/c1-2-10-8-16-12(11(10)3-1)14-17-13(18-19-14)9-4-6-15-7-5-9/h4-7,10-12,16H,1-3,8H2
InChIKeyLENFXKJQXPISNK-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.19
Rot. Bonds2

About 5-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-3-pyridin-4-yl-1,2,4-oxadiazole

5-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-3-pyridin-4-yl-1,2,4-oxadiazole (PubChem CID 102894474) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is 5-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-3-pyridin-4-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-3-pyridin-4-yl-1,2,4-oxadiazole
PubChem CID102894474
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name5-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-3-pyridin-4-yl-1,2,4-oxadiazole
SMILESc1cc(-c2noc(C3NCC4CCCC43)n2)ccn1
InChIInChI=1S/C14H16N4O/c1-2-10-8-16-12(11(10)3-1)14-17-13(18-19-14)9-4-6-15-7-5-9/h4-7,10-12,16H,1-3,8H2
InChIKeyLENFXKJQXPISNK-UHFFFAOYSA-N
XLogP2.19
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-3-pyrimidin-4-yl-1,2,4-oxadiazole
CID 102894787
5-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-3-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazole
CID 102894794
5-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazole
CID 102894678
5-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-3-(5-methylpyrimidin-2-yl)-1,2,4-oxadiazole
CID 102894790
5-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-3-(3-methylfuran-2-yl)-1,2,4-oxadiazole
CID 102894808
5-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-3-benzyl-1,2,4-oxadiazole
CID 102894468
5-(azetidin-3-yl)-3-pyridin-4-yl-1,2,4-oxadiazole;dihydrochloride
CID 71778820
5-piperidin-3-yl-3-pyridin-4-yl-1,2,4-oxadiazole;dihydrochloride
CID 66618635
5-[(2R)-oxolan-2-yl]-3-pyridin-4-yl-1,2,4-oxadiazole
CID 95953302
5-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-3-[(2-methylphenyl)methyl]-1,2,4-oxadiazole
CID 102894580
5-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-3-(thiolan-2-yl)-1,2,4-oxadiazole
CID 102894769
5-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-3-(oxolan-3-ylmethyl)-1,2,4-oxadiazole
CID 102894798

Frequently Asked Questions

What is the IUPAC name of 5-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-3-pyridin-4-yl-1,2,4-oxadiazole?
The IUPAC name of 5-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-3-pyridin-4-yl-1,2,4-oxadiazole (CID 102894474) is 5-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-3-pyridin-4-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-3-pyridin-4-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-3-pyridin-4-yl-1,2,4-oxadiazole is c1cc(-c2noc(C3NCC4CCCC43)n2)ccn1.
What is the InChIKey of 5-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-3-pyridin-4-yl-1,2,4-oxadiazole?
The InChIKey is LENFXKJQXPISNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c1-2-10-8-16-12(11(10)3-1)14-17-13(18-19-14)9-4-6-15-7-5-9/h4-7,10-12,16H,1-3,8H2.
What are the key properties of 5-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-3-pyridin-4-yl-1,2,4-oxadiazole?
5-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-3-pyridin-4-yl-1,2,4-oxadiazole has a molecular weight of 256.31 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-3-pyridin-4-yl-1,2,4-oxadiazole is sourced from PubChem (CID 102894474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).