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

C12H14BrN3O2S — CID 60689688

IUPAC1-[[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-ol
SMILESOC1CCCN(Cc2nnc(-c3ccc(Br)s3)o2)C1
InChIInChI=1S/C12H14BrN3O2S/c13-10-4-3-9(19-10)12-15-14-11(18-12)7-16-5-1-2-8(17)6-16/h3-4,8,17H,1-2,5-7H2
InChIKeyVRFVBRQKZPZZAK-UHFFFAOYSA-N
MW344.23 g/mol
LogP2.52
Rot. Bonds3

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

1-[[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-ol (PubChem CID 60689688) has the molecular formula C12H14BrN3O2S and a molecular weight of 344.23 g/mol. Its IUPAC name is 1-[[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-ol.

Molecular Properties

Compound Name1-[[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-ol
PubChem CID60689688
Molecular FormulaC12H14BrN3O2S
Molecular Weight344.23 g/mol
Exact Mass343.00
IUPAC Name1-[[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-ol
SMILESOC1CCCN(Cc2nnc(-c3ccc(Br)s3)o2)C1
InChIInChI=1S/C12H14BrN3O2S/c13-10-4-3-9(19-10)12-15-14-11(18-12)7-16-5-1-2-8(17)6-16/h3-4,8,17H,1-2,5-7H2
InChIKeyVRFVBRQKZPZZAK-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-[[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-ol with MolForge

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Related Compounds

1-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-ol
CID 60669557
1-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-ol
CID 60669569
1-[[3-(5-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-ol
CID 56790665
1-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-ol
CID 47473957
(3R)-1-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-ol
CID 78993305
1-[[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102785952
1-[[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N,4-dimethylpiperidin-4-amine
CID 115304964
(3R)-1-[[5-(3-bromo-2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-3-ol
CID 169101326
(3R)-4-[[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-3-methylmorpholine
CID 34553713
[1-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-yl]methanol
CID 60670195
[1-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-yl]methanol
CID 60670196
2-(5-bromothiophen-2-yl)-5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole
CID 26551578

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-ol?
The IUPAC name of 1-[[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-ol (CID 60689688) is 1-[[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-ol.
What is the SMILES notation for 1-[[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-ol?
The canonical SMILES for 1-[[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-ol is OC1CCCN(Cc2nnc(-c3ccc(Br)s3)o2)C1.
What is the InChIKey of 1-[[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-ol?
The InChIKey is VRFVBRQKZPZZAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3O2S/c13-10-4-3-9(19-10)12-15-14-11(18-12)7-16-5-1-2-8(17)6-16/h3-4,8,17H,1-2,5-7H2.
What are the key properties of 1-[[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-ol?
1-[[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-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-[[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-ol is sourced from PubChem (CID 60689688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).