3-(5-bromo-2-pyridinyl)-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole

C11H11BrN4O — CID 104900829

IUPAC3-(5-bromo-2-pyridinyl)-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole
SMILESBrc1ccc(-c2noc([C@H]3CCCN3)n2)nc1
InChIInChI=1S/C11H11BrN4O/c12-7-3-4-8(14-6-7)10-15-11(17-16-10)9-2-1-5-13-9/h3-4,6,9,13H,1-2,5H2/t9-/m1/s1
InChIKeyMFLFOHXFINJAPB-SECBINFHSA-N
MW295.14 g/mol
LogP2.32
Rot. Bonds2

About 3-(5-bromo-2-pyridinyl)-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole

3-(5-bromo-2-pyridinyl)-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole (PubChem CID 104900829) has the molecular formula C11H11BrN4O and a molecular weight of 295.14 g/mol. Its IUPAC name is 3-(5-bromo-2-pyridinyl)-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(5-bromo-2-pyridinyl)-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole
PubChem CID104900829
Molecular FormulaC11H11BrN4O
Molecular Weight295.14 g/mol
Exact Mass294.01
IUPAC Name3-(5-bromo-2-pyridinyl)-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole
SMILESBrc1ccc(-c2noc([C@H]3CCCN3)n2)nc1
InChIInChI=1S/C11H11BrN4O/c12-7-3-4-8(14-6-7)10-15-11(17-16-10)9-2-1-5-13-9/h3-4,6,9,13H,1-2,5H2/t9-/m1/s1
InChIKeyMFLFOHXFINJAPB-SECBINFHSA-N
XLogP2.32
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.14
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(5-fluoro-2-pyridinyl)-5-[(2R)-piperidin-2-yl]-1,2,4-oxadiazole
CID 104915048
3-pyrimidin-4-yl-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 104900783
(3R,5R)-5-[3-(5-bromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 104912525
3-[5-(3-fluorophenyl)-2-pyridinyl]-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 71088454
3-(4-bromo-2-methylphenyl)-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 103083276
5-pyrrolidin-2-yl-3-quinolin-2-yl-1,2,4-oxadiazole
CID 63219142
5-piperidin-2-yl-3-pyrimidin-4-yl-1,2,4-oxadiazole
CID 115528630
5-bromo-2-pyrrolidin-2-ylpyridine
CID 67294409
5-bromo-2-pyrrolidin-2-ylpyridine;hydrochloride
CID 118998863
3-(4-fluorophenyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 3998388
3-(3,5-dimethyl-2-pyridinyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 113365456
3-(3-bromoquinolin-2-yl)-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 104900764

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-2-pyridinyl)-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-(5-bromo-2-pyridinyl)-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole (CID 104900829) is 3-(5-bromo-2-pyridinyl)-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(5-bromo-2-pyridinyl)-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(5-bromo-2-pyridinyl)-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole is Brc1ccc(-c2noc([C@H]3CCCN3)n2)nc1.
What is the InChIKey of 3-(5-bromo-2-pyridinyl)-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole?
The InChIKey is MFLFOHXFINJAPB-SECBINFHSA-N. The full InChI is InChI=1S/C11H11BrN4O/c12-7-3-4-8(14-6-7)10-15-11(17-16-10)9-2-1-5-13-9/h3-4,6,9,13H,1-2,5H2/t9-/m1/s1.
What are the key properties of 3-(5-bromo-2-pyridinyl)-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole?
3-(5-bromo-2-pyridinyl)-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole has a molecular weight of 295.14 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-2-pyridinyl)-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 104900829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).