(5S)-5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol

C9H15N3O2 — CID 104911085

IUPAC(5S)-5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol
SMILESCC(C)c1noc([C@@H]2CC(O)CN2)n1
InChIInChI=1S/C9H15N3O2/c1-5(2)8-11-9(14-12-8)7-3-6(13)4-10-7/h5-7,10,13H,3-4H2,1-2H3/t6?,7-/m0/s1
InChIKeyUHVLXRZCDLJRHO-MLWJPKLSSA-N
MW197.24 g/mol
LogP0.59
Rot. Bonds2

About (5S)-5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol

(5S)-5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol (PubChem CID 104911085) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is (5S)-5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(5S)-5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol
PubChem CID104911085
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name(5S)-5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol
SMILESCC(C)c1noc([C@@H]2CC(O)CN2)n1
InChIInChI=1S/C9H15N3O2/c1-5(2)8-11-9(14-12-8)7-3-6(13)4-10-7/h5-7,10,13H,3-4H2,1-2H3/t6?,7-/m0/s1
InChIKeyUHVLXRZCDLJRHO-MLWJPKLSSA-N
XLogP0.59
TPSA71.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3S,5S)-5-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 104912535
(3S,5R)-5-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 106812910
(3R,5R)-5-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 104912140
(3R,5S)-5-[3-(2-hydroxyethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 104911494
(3S,5R)-5-[3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 106812934
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
5-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 107925124
(3R,5S)-5-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 104911217
(5S)-5-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 104911379
(3S,5S)-5-[3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 104912517
5-[(2R,4S)-4-hydroxypyrrolidin-2-yl]-N-methyl-1,2,4-oxadiazole-3-carboxamide
CID 106812946

Frequently Asked Questions

What is the IUPAC name of (5S)-5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol?
The IUPAC name of (5S)-5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol (CID 104911085) is (5S)-5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol.
What is the SMILES notation for (5S)-5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol?
The canonical SMILES for (5S)-5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol is CC(C)c1noc([C@@H]2CC(O)CN2)n1.
What is the InChIKey of (5S)-5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol?
The InChIKey is UHVLXRZCDLJRHO-MLWJPKLSSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-5(2)8-11-9(14-12-8)7-3-6(13)4-10-7/h5-7,10,13H,3-4H2,1-2H3/t6?,7-/m0/s1.
What are the key properties of (5S)-5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol?
(5S)-5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol has a molecular weight of 197.24 g/mol, XLogP of 0.59, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol is sourced from PubChem (CID 104911085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).