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

C11H17N3O3 — CID 104911481

IUPAC(3R,5S)-5-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
SMILESO[C@H]1CN[C@H](c2nc(CC3CCOC3)no2)C1
InChIInChI=1S/C11H17N3O3/c15-8-4-9(12-5-8)11-13-10(14-17-11)3-7-1-2-16-6-7/h7-9,12,15H,1-6H2/t7?,8-,9+/m1/s1
InChIKeyQLHLHRCENVOPJE-ASODMVGOSA-N
MW239.27 g/mol
LogP0.04
Rot. Bonds3

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

(3R,5S)-5-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol (PubChem CID 104911481) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is (3R,5S)-5-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,5S)-5-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
PubChem CID104911481
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name(3R,5S)-5-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
SMILESO[C@H]1CN[C@H](c2nc(CC3CCOC3)no2)C1
InChIInChI=1S/C11H17N3O3/c15-8-4-9(12-5-8)11-13-10(14-17-11)3-7-1-2-16-6-7/h7-9,12,15H,1-6H2/t7?,8-,9+/m1/s1
InChIKeyQLHLHRCENVOPJE-ASODMVGOSA-N
XLogP0.04
TPSA80.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(3S,5R)-5-[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 104971482
5-(3-ethyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol
CID 86276587
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
(3R,5S)-5-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 104911217
(3R,5R)-5-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 104912140
(5S)-5-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 104911379
(3S,5S)-5-[3-[(1,4-dimethylpiperazin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 104912482
5-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-3-(oxolan-3-ylmethyl)-1,2,4-oxadiazole
CID 102894798
5-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-3-(oxolan-3-ylmethyl)-1,2,4-oxadiazole
CID 103985711
(5S)-5-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 106814669
(5S)-5-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 104911066

Frequently Asked Questions

What is the IUPAC name of (3R,5S)-5-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol?
The IUPAC name of (3R,5S)-5-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol (CID 104911481) is (3R,5S)-5-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol.
What is the SMILES notation for (3R,5S)-5-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol?
The canonical SMILES for (3R,5S)-5-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol is O[C@H]1CN[C@H](c2nc(CC3CCOC3)no2)C1.
What is the InChIKey of (3R,5S)-5-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol?
The InChIKey is QLHLHRCENVOPJE-ASODMVGOSA-N. The full InChI is InChI=1S/C11H17N3O3/c15-8-4-9(12-5-8)11-13-10(14-17-11)3-7-1-2-16-6-7/h7-9,12,15H,1-6H2/t7?,8-,9+/m1/s1.
What are the key properties of (3R,5S)-5-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol?
(3R,5S)-5-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol has a molecular weight of 239.27 g/mol, XLogP of 0.04, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-5-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol is sourced from PubChem (CID 104911481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).