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

C11H13N3O2S — CID 78993305

IUPAC(3R)-1-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-ol
SMILESO[C@@H]1CCN(Cc2nnc(-c3cccs3)o2)C1
InChIInChI=1S/C11H13N3O2S/c15-8-3-4-14(6-8)7-10-12-13-11(16-10)9-2-1-5-17-9/h1-2,5,8,15H,3-4,6-7H2/t8-/m1/s1
InChIKeyRATCADVIDPNVMY-MRVPVSSYSA-N
MW251.31 g/mol
LogP1.36
Rot. Bonds3

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

(3R)-1-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-ol (PubChem CID 78993305) has the molecular formula C11H13N3O2S and a molecular weight of 251.31 g/mol. Its IUPAC name is (3R)-1-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R)-1-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-ol
PubChem CID78993305
Molecular FormulaC11H13N3O2S
Molecular Weight251.31 g/mol
Exact Mass251.07
IUPAC Name(3R)-1-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-ol
SMILESO[C@@H]1CCN(Cc2nnc(-c3cccs3)o2)C1
InChIInChI=1S/C11H13N3O2S/c15-8-3-4-14(6-8)7-10-12-13-11(16-10)9-2-1-5-17-9/h1-2,5,8,15H,3-4,6-7H2/t8-/m1/s1
InChIKeyRATCADVIDPNVMY-MRVPVSSYSA-N
XLogP1.36
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3R)-1-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-ol with MolForge

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Related Compounds

8-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 63769574
methyl 4-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]morpholine-2-carboxylate
CID 78993394
1-[[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-ol
CID 60689688
2-[[(3S)-3-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methyl]-5-thiophen-2-yl-1,3,4-oxadiazole
CID 95629920
(3R)-1-[[5-(3-bromo-2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-3-ol
CID 169101326
(3S)-1-[[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-3-ol
CID 111123204
(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methanol
CID 43558918
3-[1-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 78819306
(1S,3R)-3-ethoxy-7-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]-7-azaspiro[3.5]nonan-1-ol
CID 97100866
2-[(5,8-difluoro-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazole
CID 71974164
4-methyl-1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-3-ol
CID 103898404
(3R)-1-[[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-3-ol
CID 111334084

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-ol?
The IUPAC name of (3R)-1-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-ol (CID 78993305) is (3R)-1-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-ol.
What is the SMILES notation for (3R)-1-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-ol?
The canonical SMILES for (3R)-1-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-ol is O[C@@H]1CCN(Cc2nnc(-c3cccs3)o2)C1.
What is the InChIKey of (3R)-1-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-ol?
The InChIKey is RATCADVIDPNVMY-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H13N3O2S/c15-8-3-4-14(6-8)7-10-12-13-11(16-10)9-2-1-5-17-9/h1-2,5,8,15H,3-4,6-7H2/t8-/m1/s1.
What are the key properties of (3R)-1-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-ol?
(3R)-1-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-ol has a molecular weight of 251.31 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-ol is sourced from PubChem (CID 78993305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).