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

C15H13BrN4O — CID 104900764

IUPAC3-(3-bromoquinolin-2-yl)-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole
SMILESBrc1cc2ccccc2nc1-c1noc([C@H]2CCCN2)n1
InChIInChI=1S/C15H13BrN4O/c16-10-8-9-4-1-2-5-11(9)18-13(10)14-19-15(21-20-14)12-6-3-7-17-12/h1-2,4-5,8,12,17H,3,6-7H2/t12-/m1/s1
InChIKeyIQJORDLXKKSNEV-GFCCVEGCSA-N
MW345.20 g/mol
LogP3.47
Rot. Bonds2

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

3-(3-bromoquinolin-2-yl)-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole (PubChem CID 104900764) has the molecular formula C15H13BrN4O and a molecular weight of 345.20 g/mol. Its IUPAC name is 3-(3-bromoquinolin-2-yl)-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(3-bromoquinolin-2-yl)-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole
PubChem CID104900764
Molecular FormulaC15H13BrN4O
Molecular Weight345.20 g/mol
Exact Mass344.03
IUPAC Name3-(3-bromoquinolin-2-yl)-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole
SMILESBrc1cc2ccccc2nc1-c1noc([C@H]2CCCN2)n1
InChIInChI=1S/C15H13BrN4O/c16-10-8-9-4-1-2-5-11(9)18-13(10)14-19-15(21-20-14)12-6-3-7-17-12/h1-2,4-5,8,12,17H,3,6-7H2/t12-/m1/s1
InChIKeyIQJORDLXKKSNEV-GFCCVEGCSA-N
XLogP3.47
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.20
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-pyrrolidin-2-yl-3-quinolin-2-yl-1,2,4-oxadiazole
CID 63219142
3-(1-benzofuran-2-yl)-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 95012274
3-naphthalen-2-yl-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 104900526
2-[3-(3-bromoquinolin-2-yl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carbonitrile
CID 106526103
3-(1-benzofuran-2-yl)-5-[(2R)-piperidin-2-yl]-1,2,4-oxadiazole
CID 103832711
3-(2-bromo-4-methylphenyl)-5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 114015433
3-(2-bromo-4-fluorophenyl)-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 107280122
3-(3-bromo-4-methoxyphenyl)-5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 106950830
3-(5-bromo-2-pyridinyl)-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 104900829
3-(4-bromo-2-methylphenyl)-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 103083276
3-(1H-imidazol-2-yl)-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 136746255
3-naphthalen-1-yl-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole
CID 103832593

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromoquinolin-2-yl)-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-(3-bromoquinolin-2-yl)-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole (CID 104900764) is 3-(3-bromoquinolin-2-yl)-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(3-bromoquinolin-2-yl)-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(3-bromoquinolin-2-yl)-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole is Brc1cc2ccccc2nc1-c1noc([C@H]2CCCN2)n1.
What is the InChIKey of 3-(3-bromoquinolin-2-yl)-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole?
The InChIKey is IQJORDLXKKSNEV-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H13BrN4O/c16-10-8-9-4-1-2-5-11(9)18-13(10)14-19-15(21-20-14)12-6-3-7-17-12/h1-2,4-5,8,12,17H,3,6-7H2/t12-/m1/s1.
What are the key properties of 3-(3-bromoquinolin-2-yl)-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole?
3-(3-bromoquinolin-2-yl)-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole has a molecular weight of 345.20 g/mol, XLogP of 3.47, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromoquinolin-2-yl)-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 104900764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).