(3R,5R)-5-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol

C13H12N4O2S — CID 104912463

IUPAC(3R,5R)-5-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol
SMILESO[C@H]1CN[C@@H](c2nc(-c3cnc4ccsc4c3)no2)C1
InChIInChI=1S/C13H12N4O2S/c18-8-4-10(15-6-8)13-16-12(17-19-13)7-3-11-9(14-5-7)1-2-20-11/h1-3,5,8,10,15,18H,4,6H2/t8-,10-/m1/s1
InChIKeyMWWKWMGTZUPQCW-PSASIEDQSA-N
MW288.33 g/mol
LogP1.74
Rot. Bonds2

About (3R,5R)-5-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol

(3R,5R)-5-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol (PubChem CID 104912463) has the molecular formula C13H12N4O2S and a molecular weight of 288.33 g/mol. Its IUPAC name is (3R,5R)-5-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,5R)-5-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol
PubChem CID104912463
Molecular FormulaC13H12N4O2S
Molecular Weight288.33 g/mol
Exact Mass288.07
IUPAC Name(3R,5R)-5-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol
SMILESO[C@H]1CN[C@@H](c2nc(-c3cnc4ccsc4c3)no2)C1
InChIInChI=1S/C13H12N4O2S/c18-8-4-10(15-6-8)13-16-12(17-19-13)7-3-11-9(14-5-7)1-2-20-11/h1-3,5,8,10,15,18H,4,6H2/t8-,10-/m1/s1
InChIKeyMWWKWMGTZUPQCW-PSASIEDQSA-N
XLogP1.74
TPSA84.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol
CID 114351072
5-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)piperazin-2-one
CID 107436533
(5S)-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol
CID 104911082
(3R,5S)-5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 51136219
(3R,5R)-5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 104912131
5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 75614428
(3R,5R)-5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol
CID 104912125
(3R,5S)-5-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 104911113
4-[5-[(2R,4R)-4-hydroxypyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]benzene-1,2-diol
CID 136888793
(3R,5R)-5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 104912169
(3R,5R)-5-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 107917770
5-[3-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 106847375

Frequently Asked Questions

What is the IUPAC name of (3R,5R)-5-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol?
The IUPAC name of (3R,5R)-5-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol (CID 104912463) is (3R,5R)-5-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol.
What is the SMILES notation for (3R,5R)-5-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol?
The canonical SMILES for (3R,5R)-5-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol is O[C@H]1CN[C@@H](c2nc(-c3cnc4ccsc4c3)no2)C1.
What is the InChIKey of (3R,5R)-5-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol?
The InChIKey is MWWKWMGTZUPQCW-PSASIEDQSA-N. The full InChI is InChI=1S/C13H12N4O2S/c18-8-4-10(15-6-8)13-16-12(17-19-13)7-3-11-9(14-5-7)1-2-20-11/h1-3,5,8,10,15,18H,4,6H2/t8-,10-/m1/s1.
What are the key properties of (3R,5R)-5-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol?
(3R,5R)-5-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol has a molecular weight of 288.33 g/mol, XLogP of 1.74, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-5-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol is sourced from PubChem (CID 104912463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).