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

C13H15N3O2S — CID 106847375

IUPAC5-[3-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
SMILESCSc1ccc(-c2noc(C3CC(O)CN3)n2)cc1
InChIInChI=1S/C13H15N3O2S/c1-19-10-4-2-8(3-5-10)12-15-13(18-16-12)11-6-9(17)7-14-11/h2-5,9,11,14,17H,6-7H2,1H3
InChIKeyJWCNPLZTMBKUCP-UHFFFAOYSA-N
MW277.35 g/mol
LogP1.85
Rot. Bonds3

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

5-[3-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol (PubChem CID 106847375) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is 5-[3-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol.

Molecular Properties

Compound Name5-[3-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
PubChem CID106847375
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC Name5-[3-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
SMILESCSc1ccc(-c2noc(C3CC(O)CN3)n2)cc1
InChIInChI=1S/C13H15N3O2S/c1-19-10-4-2-8(3-5-10)12-15-13(18-16-12)11-6-9(17)7-14-11/h2-5,9,11,14,17H,6-7H2,1H3
InChIKeyJWCNPLZTMBKUCP-UHFFFAOYSA-N
XLogP1.85
TPSA71.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(3R,5S)-5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 51136219
(3R,5R)-5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 104912131
5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 75614428
(3R,5R)-5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 104912169
(3R,5S)-5-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 104911113
(5S)-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol
CID 104911082
5-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 115753243
(3S,5S)-5-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 104912199
4-[5-[(2R,4R)-4-hydroxypyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]benzene-1,2-diol
CID 136888793
(3R,5R)-5-[3-(3-bromo-4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 107916258
(5S)-5-[3-(4-hydroxy-3,5-dimethylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 136854657
(5S)-5-[3-(3-fluoro-5-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 104911435

Frequently Asked Questions

What is the IUPAC name of 5-[3-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol?
The IUPAC name of 5-[3-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol (CID 106847375) is 5-[3-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol.
What is the SMILES notation for 5-[3-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol?
The canonical SMILES for 5-[3-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol is CSc1ccc(-c2noc(C3CC(O)CN3)n2)cc1.
What is the InChIKey of 5-[3-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol?
The InChIKey is JWCNPLZTMBKUCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c1-19-10-4-2-8(3-5-10)12-15-13(18-16-12)11-6-9(17)7-14-11/h2-5,9,11,14,17H,6-7H2,1H3.
What are the key properties of 5-[3-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol?
5-[3-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol has a molecular weight of 277.35 g/mol, XLogP of 1.85, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol is sourced from PubChem (CID 106847375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).