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

C10H15N3O4S — CID 104912474

IUPAC(3R,5R)-5-[3-(1,1-dioxothiolan-3-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
SMILESO=S1(=O)CCC(c2noc([C@H]3C[C@@H](O)CN3)n2)C1
InChIInChI=1S/C10H15N3O4S/c14-7-3-8(11-4-7)10-12-9(13-17-10)6-1-2-18(15,16)5-6/h6-8,11,14H,1-5H2/t6?,7-,8-/m1/s1
InChIKeyKUFQWSZCZJSPKV-SPDVFEMOSA-N
MW273.31 g/mol
LogP-0.63
Rot. Bonds2

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

(3R,5R)-5-[3-(1,1-dioxothiolan-3-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol (PubChem CID 104912474) has the molecular formula C10H15N3O4S and a molecular weight of 273.31 g/mol. Its IUPAC name is (3R,5R)-5-[3-(1,1-dioxothiolan-3-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,5R)-5-[3-(1,1-dioxothiolan-3-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
PubChem CID104912474
Molecular FormulaC10H15N3O4S
Molecular Weight273.31 g/mol
Exact Mass273.08
IUPAC Name(3R,5R)-5-[3-(1,1-dioxothiolan-3-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
SMILESO=S1(=O)CCC(c2noc([C@H]3C[C@@H](O)CN3)n2)C1
InChIInChI=1S/C10H15N3O4S/c14-7-3-8(11-4-7)10-12-9(13-17-10)6-1-2-18(15,16)5-6/h6-8,11,14H,1-5H2/t6?,7-,8-/m1/s1
InChIKeyKUFQWSZCZJSPKV-SPDVFEMOSA-N
XLogP-0.63
TPSA105.32 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 5-0.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(3S,5R)-5-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol
CID 104971499
3-(5-pyrrolidin-2-yl-1,2,4-oxadiazol-3-yl)thiolane 1,1-dioxide
CID 115335815
(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
3-(5-thiomorpholin-3-yl-1,2,4-oxadiazol-3-yl)thiolane 1,1-dioxide
CID 82904778
3-(5-pyrrolidin-3-yl-1,2,4-oxadiazol-3-yl)thiolane 1,1-dioxide
CID 115336043
(3R,5S)-5-[3-(4-tert-butylcyclohexyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 104911324
(3S,5S)-5-[3-(4-tert-butylcyclohexyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 104912360
3-[5-(7-azabicyclo[2.2.1]heptan-2-yl)-1,2,4-oxadiazol-3-yl]thiolane 1,1-dioxide
CID 115335846
5-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 107925124
3-[3-(1,1-dioxothiolan-3-yl)-1,2,4-oxadiazol-5-yl]oxan-4-ol
CID 106474192
(3S,5S)-5-[3-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 104912307
(1S)-1-[3-(1,1-dioxothiolan-3-yl)-1,2,4-oxadiazol-5-yl]ethanol
CID 115337585

Frequently Asked Questions

What is the IUPAC name of (3R,5R)-5-[3-(1,1-dioxothiolan-3-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol?
The IUPAC name of (3R,5R)-5-[3-(1,1-dioxothiolan-3-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol (CID 104912474) is (3R,5R)-5-[3-(1,1-dioxothiolan-3-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol.
What is the SMILES notation for (3R,5R)-5-[3-(1,1-dioxothiolan-3-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol?
The canonical SMILES for (3R,5R)-5-[3-(1,1-dioxothiolan-3-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol is O=S1(=O)CCC(c2noc([C@H]3C[C@@H](O)CN3)n2)C1.
What is the InChIKey of (3R,5R)-5-[3-(1,1-dioxothiolan-3-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol?
The InChIKey is KUFQWSZCZJSPKV-SPDVFEMOSA-N. The full InChI is InChI=1S/C10H15N3O4S/c14-7-3-8(11-4-7)10-12-9(13-17-10)6-1-2-18(15,16)5-6/h6-8,11,14H,1-5H2/t6?,7-,8-/m1/s1.
What are the key properties of (3R,5R)-5-[3-(1,1-dioxothiolan-3-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol?
(3R,5R)-5-[3-(1,1-dioxothiolan-3-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol has a molecular weight of 273.31 g/mol, XLogP of -0.63, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-5-[3-(1,1-dioxothiolan-3-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol is sourced from PubChem (CID 104912474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).