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

C12H14BrN3O2S — CID 60541247

IUPAC1-[[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-ol
SMILESOC1CCCN(Cc2nc(-c3cc(Br)cs3)no2)C1
InChIInChI=1S/C12H14BrN3O2S/c13-8-4-10(19-7-8)12-14-11(18-15-12)6-16-3-1-2-9(17)5-16/h4,7,9,17H,1-3,5-6H2
InChIKeyIORXYEWXPBCETP-UHFFFAOYSA-N
MW344.23 g/mol
LogP2.52
Rot. Bonds3

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

1-[[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-ol (PubChem CID 60541247) has the molecular formula C12H14BrN3O2S and a molecular weight of 344.23 g/mol. Its IUPAC name is 1-[[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-ol.

Molecular Properties

Compound Name1-[[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-ol
PubChem CID60541247
Molecular FormulaC12H14BrN3O2S
Molecular Weight344.23 g/mol
Exact Mass343.00
IUPAC Name1-[[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-ol
SMILESOC1CCCN(Cc2nc(-c3cc(Br)cs3)no2)C1
InChIInChI=1S/C12H14BrN3O2S/c13-8-4-10(19-7-8)12-14-11(18-15-12)6-16-3-1-2-9(17)5-16/h4,7,9,17H,1-3,5-6H2
InChIKeyIORXYEWXPBCETP-UHFFFAOYSA-N
XLogP2.52
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.23
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

1-[[3-(5-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-ol
CID 56790665
1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-ol
CID 47028787
(3R)-1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-ol
CID 78963343
1-[(3-amino-1,2-oxazol-5-yl)methyl]piperidin-3-ol
CID 82398962
(3S)-1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-ol
CID 107225702
(3R)-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-ol
CID 78963710
1-[[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-ol
CID 60689688
1-[(2-amino-1,3-thiazol-4-yl)methyl]piperidin-3-ol
CID 130552808
1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-3-ol
CID 60645207
1-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-ol
CID 60669557
ethyl (3S)-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxylate
CID 42594524
3-[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]-1-(2,3-dimethylpiperazin-1-yl)propan-1-one;hydrochloride
CID 120571495

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-ol?
The IUPAC name of 1-[[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-ol (CID 60541247) is 1-[[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-ol.
What is the SMILES notation for 1-[[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-ol?
The canonical SMILES for 1-[[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-ol is OC1CCCN(Cc2nc(-c3cc(Br)cs3)no2)C1.
What is the InChIKey of 1-[[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-ol?
The InChIKey is IORXYEWXPBCETP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3O2S/c13-8-4-10(19-7-8)12-14-11(18-15-12)6-16-3-1-2-9(17)5-16/h4,7,9,17H,1-3,5-6H2.
What are the key properties of 1-[[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-ol?
1-[[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-ol has a molecular weight of 344.23 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-ol is sourced from PubChem (CID 60541247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).