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

C13H12N4O2S — CID 114351072

IUPAC5-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol
SMILESOC1CNC(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
InChIKeyMWWKWMGTZUPQCW-UHFFFAOYSA-N
MW288.33 g/mol
LogP1.74
Rot. Bonds2

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

5-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol (PubChem CID 114351072) has the molecular formula C13H12N4O2S and a molecular weight of 288.33 g/mol. Its IUPAC name is 5-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol.

Molecular Properties

Compound Name5-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol
PubChem CID114351072
Molecular FormulaC13H12N4O2S
Molecular Weight288.33 g/mol
Exact Mass288.07
IUPAC Name5-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol
SMILESOC1CNC(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
InChIKeyMWWKWMGTZUPQCW-UHFFFAOYSA-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R,5R)-5-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol
CID 104912463
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 5-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol?
The IUPAC name of 5-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol (CID 114351072) is 5-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol.
What is the SMILES notation for 5-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol?
The canonical SMILES for 5-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol is OC1CNC(c2nc(-c3cnc4ccsc4c3)no2)C1.
What is the InChIKey of 5-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol?
The InChIKey is MWWKWMGTZUPQCW-UHFFFAOYSA-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.
What are the key properties of 5-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol?
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 5-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol is sourced from PubChem (CID 114351072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).