5-pyrrolidin-2-yl-3-quinolin-2-yl-1,2,4-oxadiazole

C15H14N4O — CID 63219142

IUPAC5-pyrrolidin-2-yl-3-quinolin-2-yl-1,2,4-oxadiazole
SMILESc1ccc2nc(-c3noc(C4CCCN4)n3)ccc2c1
InChIInChI=1S/C15H14N4O/c1-2-5-11-10(4-1)7-8-12(17-11)14-18-15(20-19-14)13-6-3-9-16-13/h1-2,4-5,7-8,13,16H,3,6,9H2
InChIKeyJCOPYPUZMPNGPP-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.71
Rot. Bonds2

About 5-pyrrolidin-2-yl-3-quinolin-2-yl-1,2,4-oxadiazole

5-pyrrolidin-2-yl-3-quinolin-2-yl-1,2,4-oxadiazole (PubChem CID 63219142) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is 5-pyrrolidin-2-yl-3-quinolin-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-pyrrolidin-2-yl-3-quinolin-2-yl-1,2,4-oxadiazole
PubChem CID63219142
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC Name5-pyrrolidin-2-yl-3-quinolin-2-yl-1,2,4-oxadiazole
SMILESc1ccc2nc(-c3noc(C4CCCN4)n3)ccc2c1
InChIInChI=1S/C15H14N4O/c1-2-5-11-10(4-1)7-8-12(17-11)14-18-15(20-19-14)13-6-3-9-16-13/h1-2,4-5,7-8,13,16H,3,6,9H2
InChIKeyJCOPYPUZMPNGPP-UHFFFAOYSA-N
XLogP2.71
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-quinolin-2-yl-5-thiomorpholin-3-yl-1,2,4-oxadiazole
CID 82903542
3-(3-bromoquinolin-2-yl)-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 104900764
3-naphthalen-2-yl-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 104900526
(3S,5S)-5-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol
CID 104912291
3-(1-benzofuran-2-yl)-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 95012274
3-(5-bromo-2-pyridinyl)-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 104900829
3-pyrimidin-4-yl-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 104900783
3-(1-benzofuran-2-yl)-5-[(2R)-piperidin-2-yl]-1,2,4-oxadiazole
CID 103832711
3-naphthalen-1-yl-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole
CID 103832593
3-(4-fluorophenyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 3998388
3-(2-methoxyphenyl)-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 93093295
6-[5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]naphthalen-2-ol
CID 137054165

Frequently Asked Questions

What is the IUPAC name of 5-pyrrolidin-2-yl-3-quinolin-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-pyrrolidin-2-yl-3-quinolin-2-yl-1,2,4-oxadiazole (CID 63219142) is 5-pyrrolidin-2-yl-3-quinolin-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-pyrrolidin-2-yl-3-quinolin-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-pyrrolidin-2-yl-3-quinolin-2-yl-1,2,4-oxadiazole is c1ccc2nc(-c3noc(C4CCCN4)n3)ccc2c1.
What is the InChIKey of 5-pyrrolidin-2-yl-3-quinolin-2-yl-1,2,4-oxadiazole?
The InChIKey is JCOPYPUZMPNGPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O/c1-2-5-11-10(4-1)7-8-12(17-11)14-18-15(20-19-14)13-6-3-9-16-13/h1-2,4-5,7-8,13,16H,3,6,9H2.
What are the key properties of 5-pyrrolidin-2-yl-3-quinolin-2-yl-1,2,4-oxadiazole?
5-pyrrolidin-2-yl-3-quinolin-2-yl-1,2,4-oxadiazole has a molecular weight of 266.30 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyrrolidin-2-yl-3-quinolin-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 63219142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).