(3R,5R)-5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol

C10H11N3O2S — CID 104912125

IUPAC(3R,5R)-5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol
SMILESO[C@H]1CN[C@@H](c2nc(-c3cccs3)no2)C1
InChIInChI=1S/C10H11N3O2S/c14-6-4-7(11-5-6)10-12-9(13-15-10)8-2-1-3-16-8/h1-3,6-7,11,14H,4-5H2/t6-,7-/m1/s1
InChIKeyJTQBAOCISSRQAZ-RNFRBKRXSA-N
MW237.28 g/mol
LogP1.19
Rot. Bonds2

About (3R,5R)-5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol

(3R,5R)-5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol (PubChem CID 104912125) has the molecular formula C10H11N3O2S and a molecular weight of 237.28 g/mol. Its IUPAC name is (3R,5R)-5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,5R)-5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol
PubChem CID104912125
Molecular FormulaC10H11N3O2S
Molecular Weight237.28 g/mol
Exact Mass237.06
IUPAC Name(3R,5R)-5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol
SMILESO[C@H]1CN[C@@H](c2nc(-c3cccs3)no2)C1
InChIInChI=1S/C10H11N3O2S/c14-6-4-7(11-5-6)10-12-9(13-15-10)8-2-1-3-16-8/h1-3,6-7,11,14H,4-5H2/t6-,7-/m1/s1
InChIKeyJTQBAOCISSRQAZ-RNFRBKRXSA-N
XLogP1.19
TPSA71.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(2S,4R)-4-fluoropyrrolidin-2-yl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 129493220
(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-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)pyrrolidin-3-ol
CID 114351072
(3R,5S)-5-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 104911113
5-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 28539833
(3S,5S)-5-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 104912294
5-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 114350998
(3R,5R)-5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 104912148

Frequently Asked Questions

What is the IUPAC name of (3R,5R)-5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol?
The IUPAC name of (3R,5R)-5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol (CID 104912125) is (3R,5R)-5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol.
What is the SMILES notation for (3R,5R)-5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol?
The canonical SMILES for (3R,5R)-5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol is O[C@H]1CN[C@@H](c2nc(-c3cccs3)no2)C1.
What is the InChIKey of (3R,5R)-5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol?
The InChIKey is JTQBAOCISSRQAZ-RNFRBKRXSA-N. The full InChI is InChI=1S/C10H11N3O2S/c14-6-4-7(11-5-6)10-12-9(13-15-10)8-2-1-3-16-8/h1-3,6-7,11,14H,4-5H2/t6-,7-/m1/s1.
What are the key properties of (3R,5R)-5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol?
(3R,5R)-5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol has a molecular weight of 237.28 g/mol, XLogP of 1.19, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol is sourced from PubChem (CID 104912125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).