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

C12H13N3O2 — CID 104911082

IUPAC(5S)-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol
SMILESOC1CN[C@H](c2nc(-c3ccccc3)no2)C1
InChIInChI=1S/C12H13N3O2/c16-9-6-10(13-7-9)12-14-11(15-17-12)8-4-2-1-3-5-8/h1-5,9-10,13,16H,6-7H2/t9?,10-/m0/s1
InChIKeyVXDKTVTUFGBYQL-AXDSSHIGSA-N
MW231.25 g/mol
LogP1.13
Rot. Bonds2

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

(5S)-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol (PubChem CID 104911082) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is (5S)-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(5S)-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol
PubChem CID104911082
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC Name(5S)-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol
SMILESOC1CN[C@H](c2nc(-c3ccccc3)no2)C1
InChIInChI=1S/C12H13N3O2/c16-9-6-10(13-7-9)12-14-11(15-17-12)8-4-2-1-3-5-8/h1-5,9-10,13,16H,6-7H2/t9?,10-/m0/s1
InChIKeyVXDKTVTUFGBYQL-AXDSSHIGSA-N
XLogP1.13
TPSA71.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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,5S)-5-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 104911113
(3R,5R)-5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 104912148
(3R,5R)-5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 104912169
5-[3-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 106847375
4-[5-[(2R,4R)-4-hydroxypyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]benzene-1,2-diol
CID 136888793
(3R,5R)-5-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 107917770
5-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 115753243
(5S)-5-[3-(4-hydroxy-3,5-dimethylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 136854657
(3S,5S)-5-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol
CID 104912291

Frequently Asked Questions

What is the IUPAC name of (5S)-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol?
The IUPAC name of (5S)-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol (CID 104911082) is (5S)-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol.
What is the SMILES notation for (5S)-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol?
The canonical SMILES for (5S)-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol is OC1CN[C@H](c2nc(-c3ccccc3)no2)C1.
What is the InChIKey of (5S)-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol?
The InChIKey is VXDKTVTUFGBYQL-AXDSSHIGSA-N. The full InChI is InChI=1S/C12H13N3O2/c16-9-6-10(13-7-9)12-14-11(15-17-12)8-4-2-1-3-5-8/h1-5,9-10,13,16H,6-7H2/t9?,10-/m0/s1.
What are the key properties of (5S)-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol?
(5S)-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol has a molecular weight of 231.25 g/mol, XLogP of 1.13, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol is sourced from PubChem (CID 104911082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).