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

C13H15N5O — CID 102894787

IUPAC5-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-3-pyrimidin-4-yl-1,2,4-oxadiazole
SMILESc1cc(-c2noc(C3NCC4CCCC43)n2)ncn1
InChIInChI=1S/C13H15N5O/c1-2-8-6-15-11(9(8)3-1)13-17-12(18-19-13)10-4-5-14-7-16-10/h4-5,7-9,11,15H,1-3,6H2
InChIKeyFORNQFLQKQABQT-UHFFFAOYSA-N
MW257.30 g/mol
LogP1.59
Rot. Bonds2

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

5-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-3-pyrimidin-4-yl-1,2,4-oxadiazole (PubChem CID 102894787) has the molecular formula C13H15N5O and a molecular weight of 257.30 g/mol. Its IUPAC name is 5-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-3-pyrimidin-4-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-3-pyrimidin-4-yl-1,2,4-oxadiazole
PubChem CID102894787
Molecular FormulaC13H15N5O
Molecular Weight257.30 g/mol
Exact Mass257.13
IUPAC Name5-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-3-pyrimidin-4-yl-1,2,4-oxadiazole
SMILESc1cc(-c2noc(C3NCC4CCCC43)n2)ncn1
InChIInChI=1S/C13H15N5O/c1-2-8-6-15-11(9(8)3-1)13-17-12(18-19-13)10-4-5-14-7-16-10/h4-5,7-9,11,15H,1-3,6H2
InChIKeyFORNQFLQKQABQT-UHFFFAOYSA-N
XLogP1.59
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-3-pyrimidin-4-yl-1,2,4-oxadiazole with MolForge

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Related Compounds

5-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-3-pyridin-4-yl-1,2,4-oxadiazole
CID 102894474
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
3-pyrimidin-4-yl-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 104900783
5-piperidin-4-yl-3-pyrimidin-4-yl-1,2,4-oxadiazole
CID 115528821
5-piperidin-2-yl-3-pyrimidin-4-yl-1,2,4-oxadiazole
CID 115528630
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
(3R,5S)-5-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol
CID 104911446
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-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)piperazin-2-one
CID 107436572
5-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-3-benzyl-1,2,4-oxadiazole
CID 102894468
5-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-3-cyclooctyl-1,2,4-oxadiazole
CID 102894768

Frequently Asked Questions

What is the IUPAC name of 5-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-3-pyrimidin-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-pyrimidin-4-yl-1,2,4-oxadiazole (CID 102894787) is 5-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-3-pyrimidin-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-pyrimidin-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-pyrimidin-4-yl-1,2,4-oxadiazole is c1cc(-c2noc(C3NCC4CCCC43)n2)ncn1.
What is the InChIKey of 5-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-3-pyrimidin-4-yl-1,2,4-oxadiazole?
The InChIKey is FORNQFLQKQABQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O/c1-2-8-6-15-11(9(8)3-1)13-17-12(18-19-13)10-4-5-14-7-16-10/h4-5,7-9,11,15H,1-3,6H2.
What are the key properties of 5-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-3-pyrimidin-4-yl-1,2,4-oxadiazole?
5-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-3-pyrimidin-4-yl-1,2,4-oxadiazole has a molecular weight of 257.30 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 6 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-pyrimidin-4-yl-1,2,4-oxadiazole is sourced from PubChem (CID 102894787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).