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

C14H17N3O3 — CID 106812750

IUPAC(3S,5R)-5-[3-(2-phenoxyethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
SMILESO[C@@H]1CN[C@@H](c2nc(CCOc3ccccc3)no2)C1
InChIInChI=1S/C14H17N3O3/c18-10-8-12(15-9-10)14-16-13(17-20-14)6-7-19-11-4-2-1-3-5-11/h1-5,10,12,15,18H,6-9H2/t10-,12+/m0/s1
InChIKeyWIWQYGZLMYUBDO-CMPLNLGQSA-N
MW275.31 g/mol
LogP1.09
Rot. Bonds5

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

(3S,5R)-5-[3-(2-phenoxyethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol (PubChem CID 106812750) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is (3S,5R)-5-[3-(2-phenoxyethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3S,5R)-5-[3-(2-phenoxyethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
PubChem CID106812750
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name(3S,5R)-5-[3-(2-phenoxyethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
SMILESO[C@@H]1CN[C@@H](c2nc(CCOc3ccccc3)no2)C1
InChIInChI=1S/C14H17N3O3/c18-10-8-12(15-9-10)14-16-13(17-20-14)6-7-19-11-4-2-1-3-5-11/h1-5,10,12,15,18H,6-9H2/t10-,12+/m0/s1
InChIKeyWIWQYGZLMYUBDO-CMPLNLGQSA-N
XLogP1.09
TPSA80.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(5S)-5-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 106814669
(3R,5S)-5-[3-(2-hydroxyethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 104911494
(5S)-5-[3-(phenylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 104911302
(3S,5S)-5-[3-(phenylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 104912338
(3R,5R)-5-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 103146226
3-(2-phenoxyethyl)-5-piperidin-2-yl-1,2,4-oxadiazole
CID 43105243
5-[3-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 114350964
(3S,5S)-5-[3-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 104912207
5-(3-ethyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol
CID 86276587
(3R,5S)-5-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 104911151
5-[(2R,4S)-4-methoxypyrrolidin-2-yl]-3-(phenoxymethyl)-1,2,4-oxadiazole
CID 154735478
5-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 114351002

Frequently Asked Questions

What is the IUPAC name of (3S,5R)-5-[3-(2-phenoxyethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol?
The IUPAC name of (3S,5R)-5-[3-(2-phenoxyethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol (CID 106812750) is (3S,5R)-5-[3-(2-phenoxyethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol.
What is the SMILES notation for (3S,5R)-5-[3-(2-phenoxyethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol?
The canonical SMILES for (3S,5R)-5-[3-(2-phenoxyethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol is O[C@@H]1CN[C@@H](c2nc(CCOc3ccccc3)no2)C1.
What is the InChIKey of (3S,5R)-5-[3-(2-phenoxyethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol?
The InChIKey is WIWQYGZLMYUBDO-CMPLNLGQSA-N. The full InChI is InChI=1S/C14H17N3O3/c18-10-8-12(15-9-10)14-16-13(17-20-14)6-7-19-11-4-2-1-3-5-11/h1-5,10,12,15,18H,6-9H2/t10-,12+/m0/s1.
What are the key properties of (3S,5R)-5-[3-(2-phenoxyethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol?
(3S,5R)-5-[3-(2-phenoxyethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol has a molecular weight of 275.31 g/mol, XLogP of 1.09, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-5-[3-(2-phenoxyethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol is sourced from PubChem (CID 106812750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).