[5-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-3-yl]methanol

C8H8N2O2S — CID 102660341

IUPAC[5-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-3-yl]methanol
SMILESOCc1noc(Cc2cccs2)n1
InChIInChI=1S/C8H8N2O2S/c11-5-7-9-8(12-10-7)4-6-2-1-3-13-6/h1-3,11H,4-5H2
InChIKeyJRBKUUHTRUKJCC-UHFFFAOYSA-N
MW196.23 g/mol
LogP1.21
Rot. Bonds3

About [5-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-3-yl]methanol

[5-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-3-yl]methanol (PubChem CID 102660341) has the molecular formula C8H8N2O2S and a molecular weight of 196.23 g/mol. Its IUPAC name is [5-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-3-yl]methanol.

Molecular Properties

Compound Name[5-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-3-yl]methanol
PubChem CID102660341
Molecular FormulaC8H8N2O2S
Molecular Weight196.23 g/mol
Exact Mass196.03
IUPAC Name[5-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-3-yl]methanol
SMILESOCc1noc(Cc2cccs2)n1
InChIInChI=1S/C8H8N2O2S/c11-5-7-9-8(12-10-7)4-6-2-1-3-13-6/h1-3,11H,4-5H2
InChIKeyJRBKUUHTRUKJCC-UHFFFAOYSA-N
XLogP1.21
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.23
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[5-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-3-yl]propanoic acid
CID 115079627
5-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-3-amine
CID 63692065
3-methyl-1-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-one
CID 63344735
1-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol
CID 55221760
5-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]pentanoic acid
CID 62502007
1-methoxy-3-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-ol
CID 63345709
5-oxo-1-[[5-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidine-3-carboxylic acid
CID 50953797
3,3-dimethyl-1-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 63352397
2-[5-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-3-yl]aniline
CID 10355103
5-phenyl-3-(thiophen-2-ylmethyl)-1,2,4-oxadiazole
CID 162656743
3-methyl-4-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]butanenitrile
CID 106524476
1-propan-2-yl-N-[[5-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-4-carboxamide
CID 74249537

Frequently Asked Questions

What is the IUPAC name of [5-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-3-yl]methanol?
The IUPAC name of [5-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-3-yl]methanol (CID 102660341) is [5-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-3-yl]methanol.
What is the SMILES notation for [5-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-3-yl]methanol?
The canonical SMILES for [5-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-3-yl]methanol is OCc1noc(Cc2cccs2)n1.
What is the InChIKey of [5-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-3-yl]methanol?
The InChIKey is JRBKUUHTRUKJCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O2S/c11-5-7-9-8(12-10-7)4-6-2-1-3-13-6/h1-3,11H,4-5H2.
What are the key properties of [5-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-3-yl]methanol?
[5-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-3-yl]methanol has a molecular weight of 196.23 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-3-yl]methanol is sourced from PubChem (CID 102660341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).