1-[5-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]propan-1-ol

C8H9N3O2S — CID 103096272

IUPAC1-[5-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]propan-1-ol
SMILESCCC(O)c1noc(-c2cscn2)n1
InChIInChI=1S/C8H9N3O2S/c1-2-6(12)7-10-8(13-11-7)5-3-14-4-9-5/h3-4,6,12H,2H2,1H3
InChIKeyZFFTZKNBMIKXGY-UHFFFAOYSA-N
MW211.25 g/mol
LogP1.64
Rot. Bonds3

About 1-[5-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]propan-1-ol

1-[5-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]propan-1-ol (PubChem CID 103096272) has the molecular formula C8H9N3O2S and a molecular weight of 211.25 g/mol. Its IUPAC name is 1-[5-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]propan-1-ol.

Molecular Properties

Compound Name1-[5-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]propan-1-ol
PubChem CID103096272
Molecular FormulaC8H9N3O2S
Molecular Weight211.25 g/mol
Exact Mass211.04
IUPAC Name1-[5-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]propan-1-ol
SMILESCCC(O)c1noc(-c2cscn2)n1
InChIInChI=1S/C8H9N3O2S/c1-2-6(12)7-10-8(13-11-7)5-3-14-4-9-5/h3-4,6,12H,2H2,1H3
InChIKeyZFFTZKNBMIKXGY-UHFFFAOYSA-N
XLogP1.64
TPSA72.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.25
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[5-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 63022879
3-(1-chloropropyl)-5-(1,3-thiazol-4-yl)-1,2,4-oxadiazole
CID 103095688
N',N'-diethyl-1-[5-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine
CID 104635635
1-[5-(4-methyl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-1-ol
CID 103096203
1-[5-(4-bromo-2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]propan-1-ol
CID 103096353
N-[[5-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine
CID 63023761
1-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)propan-1-ol
CID 103096254
1-[5-(3-chloro-5-methylphenyl)-1,2,4-oxadiazol-3-yl]propan-1-ol
CID 103096401
1-[5-(5-ethylfuran-2-yl)-1,2,4-oxadiazol-3-yl]propan-1-ol
CID 103096436
1-[5-(3,6-dimethylpyridazin-4-yl)-1,2,4-oxadiazol-3-yl]propan-1-ol
CID 103096362
2-[3-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
CID 136813506
1-[5-(4-propylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-1-ol
CID 103096276

Frequently Asked Questions

What is the IUPAC name of 1-[5-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]propan-1-ol?
The IUPAC name of 1-[5-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]propan-1-ol (CID 103096272) is 1-[5-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]propan-1-ol.
What is the SMILES notation for 1-[5-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]propan-1-ol?
The canonical SMILES for 1-[5-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]propan-1-ol is CCC(O)c1noc(-c2cscn2)n1.
What is the InChIKey of 1-[5-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]propan-1-ol?
The InChIKey is ZFFTZKNBMIKXGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O2S/c1-2-6(12)7-10-8(13-11-7)5-3-14-4-9-5/h3-4,6,12H,2H2,1H3.
What are the key properties of 1-[5-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]propan-1-ol?
1-[5-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]propan-1-ol has a molecular weight of 211.25 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]propan-1-ol is sourced from PubChem (CID 103096272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).