3-[3-(5-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-3-ol

C11H12BrN3O2S — CID 106950221

IUPAC3-[3-(5-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-3-ol
SMILESOC1(c2nc(-c3ccc(Br)s3)no2)CCCNC1
InChIInChI=1S/C11H12BrN3O2S/c12-8-3-2-7(18-8)9-14-10(17-15-9)11(16)4-1-5-13-6-11/h2-3,13,16H,1,4-6H2
InChIKeyVNXPKTQIHSWFJB-UHFFFAOYSA-N
MW330.21 g/mol
LogP2.13
Rot. Bonds2

About 3-[3-(5-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-3-ol

3-[3-(5-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-3-ol (PubChem CID 106950221) has the molecular formula C11H12BrN3O2S and a molecular weight of 330.21 g/mol. Its IUPAC name is 3-[3-(5-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-3-ol.

Molecular Properties

Compound Name3-[3-(5-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-3-ol
PubChem CID106950221
Molecular FormulaC11H12BrN3O2S
Molecular Weight330.21 g/mol
Exact Mass328.98
IUPAC Name3-[3-(5-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-3-ol
SMILESOC1(c2nc(-c3ccc(Br)s3)no2)CCCNC1
InChIInChI=1S/C11H12BrN3O2S/c12-8-3-2-7(18-8)9-14-10(17-15-9)11(16)4-1-5-13-6-11/h2-3,13,16H,1,4-6H2
InChIKeyVNXPKTQIHSWFJB-UHFFFAOYSA-N
XLogP2.13
TPSA71.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.21
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-3-ol
CID 106950086
3-[3-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-3-ol
CID 106950349
3-[3-(3,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-3-ol
CID 106950142
3-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-3-ol
CID 106950381
ethyl 1-[3-(5-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylate
CID 79480611
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 106743243
3-[3-(2-bromo-5-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 107923475
3-[3-(2-hydroxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-3-ol
CID 106950434
3-[3-(3,5-dibromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 106743645
3-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 106743319
3-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 106743581
3-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 106743743

Frequently Asked Questions

What is the IUPAC name of 3-[3-(5-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-3-ol?
The IUPAC name of 3-[3-(5-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-3-ol (CID 106950221) is 3-[3-(5-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-3-ol.
What is the SMILES notation for 3-[3-(5-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-3-ol?
The canonical SMILES for 3-[3-(5-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-3-ol is OC1(c2nc(-c3ccc(Br)s3)no2)CCCNC1.
What is the InChIKey of 3-[3-(5-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-3-ol?
The InChIKey is VNXPKTQIHSWFJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3O2S/c12-8-3-2-7(18-8)9-14-10(17-15-9)11(16)4-1-5-13-6-11/h2-3,13,16H,1,4-6H2.
What are the key properties of 3-[3-(5-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-3-ol?
3-[3-(5-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-3-ol has a molecular weight of 330.21 g/mol, XLogP of 2.13, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(5-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-3-ol is sourced from PubChem (CID 106950221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).