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

C15H15BrFN3O — CID 102894794

IUPAC5-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-3-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazole
SMILESFc1ccc(-c2noc(C3NCC4CCCC43)n2)cc1Br
InChIInChI=1S/C15H15BrFN3O/c16-11-6-8(4-5-12(11)17)14-19-15(21-20-14)13-10-3-1-2-9(10)7-18-13/h4-6,9-10,13,18H,1-3,7H2
InChIKeyUZOLLWCRUXGSLT-UHFFFAOYSA-N
MW352.21 g/mol
LogP3.70
Rot. Bonds2

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

5-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-3-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazole (PubChem CID 102894794) has the molecular formula C15H15BrFN3O and a molecular weight of 352.21 g/mol. Its IUPAC name is 5-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-3-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-3-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazole
PubChem CID102894794
Molecular FormulaC15H15BrFN3O
Molecular Weight352.21 g/mol
Exact Mass351.04
IUPAC Name5-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-3-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazole
SMILESFc1ccc(-c2noc(C3NCC4CCCC43)n2)cc1Br
InChIInChI=1S/C15H15BrFN3O/c16-11-6-8(4-5-12(11)17)14-19-15(21-20-14)13-10-3-1-2-9(10)7-18-13/h4-6,9-10,13,18H,1-3,7H2
InChIKeyUZOLLWCRUXGSLT-UHFFFAOYSA-N
XLogP3.70
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.21
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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
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-pyrimidin-4-yl-1,2,4-oxadiazole
CID 102894787
4-[3-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylcyclohexan-1-amine
CID 82787758
2-[3-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-ethylcyclopentan-1-amine
CID 82788071
3-(3-bromo-4-methylphenyl)-5-(3-methylpyrrolidin-2-yl)-1,2,4-oxadiazole
CID 107916391
3-(3,4-difluorophenyl)-5-[(3S)-pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 94917701
3-(3-chloro-4-fluorophenyl)-5-cyclobutyl-1,2,4-oxadiazole
CID 165487010
[3-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-cyclopropylmethanamine
CID 82809079
2-[[3-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-ol
CID 106483201

Frequently Asked Questions

What is the IUPAC name of 5-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-3-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazole?
The IUPAC name of 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) is 5-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-3-(3-bromo-4-fluorophenyl)-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-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-3-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazole is Fc1ccc(-c2noc(C3NCC4CCCC43)n2)cc1Br.
What is the InChIKey of 5-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-3-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazole?
The InChIKey is UZOLLWCRUXGSLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFN3O/c16-11-6-8(4-5-12(11)17)14-19-15(21-20-14)13-10-3-1-2-9(10)7-18-13/h4-6,9-10,13,18H,1-3,7H2.
What are the key properties of 5-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-3-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazole?
5-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-3-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazole has a molecular weight of 352.21 g/mol, XLogP of 3.70, 2 rotatable bonds, 1 hydrogen bond donors, and 4 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-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 102894794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).