(5S)-5-[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol

C12H14N4O2 — CID 104911204

IUPAC(5S)-5-[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
SMILESOC1CN[C@H](c2nc(Cc3ccncc3)no2)C1
InChIInChI=1S/C12H14N4O2/c17-9-6-10(14-7-9)12-15-11(16-18-12)5-8-1-3-13-4-2-8/h1-4,9-10,14,17H,5-7H2/t9?,10-/m0/s1
InChIKeyXZEANPXIBLPAAL-AXDSSHIGSA-N
MW246.27 g/mol
LogP0.45
Rot. Bonds3

About (5S)-5-[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol

(5S)-5-[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol (PubChem CID 104911204) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is (5S)-5-[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(5S)-5-[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
PubChem CID104911204
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Name(5S)-5-[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
SMILESOC1CN[C@H](c2nc(Cc3ccncc3)no2)C1
InChIInChI=1S/C12H14N4O2/c17-9-6-10(14-7-9)12-15-11(16-18-12)5-8-1-3-13-4-2-8/h1-4,9-10,14,17H,5-7H2/t9?,10-/m0/s1
InChIKeyXZEANPXIBLPAAL-AXDSSHIGSA-N
XLogP0.45
TPSA84.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (5S)-5-[3-(pyridin-4-ylmethyl)-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

(3S,5S)-5-[3-[(4-bromophenyl)methyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 104912160
(3S,5R)-5-[3-[(3,4-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 106812778
(3R,5S)-5-[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 104911149
(5S)-5-[3-[(6-methoxy-3-pyridinyl)methyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 104911407
(3R,5R)-5-[3-[(2,6-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 104912230
5-[3-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 114350964
(3S,5S)-5-[3-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 104912207
(3R,5S)-5-[3-[(2-bromophenyl)methyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 104911225
5-(3-ethyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol
CID 86276587
(3R,5S)-5-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 104911217
5-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 114351002
(3R,5S)-5-[3-(2-hydroxyethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 104911494

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol?
The IUPAC name of (5S)-5-[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol (CID 104911204) is (5S)-5-[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol.
What is the SMILES notation for (5S)-5-[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol?
The canonical SMILES for (5S)-5-[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol is OC1CN[C@H](c2nc(Cc3ccncc3)no2)C1.
What is the InChIKey of (5S)-5-[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol?
The InChIKey is XZEANPXIBLPAAL-AXDSSHIGSA-N. The full InChI is InChI=1S/C12H14N4O2/c17-9-6-10(14-7-9)12-15-11(16-18-12)5-8-1-3-13-4-2-8/h1-4,9-10,14,17H,5-7H2/t9?,10-/m0/s1.
What are the key properties of (5S)-5-[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol?
(5S)-5-[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol has a molecular weight of 246.27 g/mol, XLogP of 0.45, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol is sourced from PubChem (CID 104911204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).