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

C9H11N3O2S — CID 103096203

IUPAC1-[5-(4-methyl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-1-ol
SMILESCCC(O)c1noc(-c2scnc2C)n1
InChIInChI=1S/C9H11N3O2S/c1-3-6(13)8-11-9(14-12-8)7-5(2)10-4-15-7/h4,6,13H,3H2,1-2H3
InChIKeyJEBSQHSXTQMUPW-UHFFFAOYSA-N
MW225.27 g/mol
LogP1.94
Rot. Bonds3

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

1-[5-(4-methyl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-1-ol (PubChem CID 103096203) has the molecular formula C9H11N3O2S and a molecular weight of 225.27 g/mol. Its IUPAC name is 1-[5-(4-methyl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-1-ol.

Molecular Properties

Compound Name1-[5-(4-methyl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-1-ol
PubChem CID103096203
Molecular FormulaC9H11N3O2S
Molecular Weight225.27 g/mol
Exact Mass225.06
IUPAC Name1-[5-(4-methyl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-1-ol
SMILESCCC(O)c1noc(-c2scnc2C)n1
InChIInChI=1S/C9H11N3O2S/c1-3-6(13)8-11-9(14-12-8)7-5(2)10-4-15-7/h4,6,13H,3H2,1-2H3
InChIKeyJEBSQHSXTQMUPW-UHFFFAOYSA-N
XLogP1.94
TPSA72.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(1R)-1-methoxyethyl]-5-(4-methyl-1,3-thiazol-5-yl)-1,2,4-oxadiazole
CID 95972499
1-[5-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]propan-1-ol
CID 103096272
3-bromo-5-(4-methyl-1,3-thiazol-5-yl)-1,2,4-oxadiazole
CID 112571697
2-[5-(4-methyl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 61334499
1-[5-(3,6-dimethylpyridazin-4-yl)-1,2,4-oxadiazol-3-yl]propan-1-ol
CID 103096362
1-[5-(4-propylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-1-ol
CID 103096276
2-[5-(4-methyl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 61325491
1-[5-(3-chloro-5-methylphenyl)-1,2,4-oxadiazol-3-yl]propan-1-ol
CID 103096401
1-[5-(2,4-difluoro-5-methylphenyl)-1,2,4-oxadiazol-3-yl]propan-1-ol
CID 103096111
1-[5-(4-bromo-2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]propan-1-ol
CID 103096353
1-[5-(5-ethylfuran-2-yl)-1,2,4-oxadiazol-3-yl]propan-1-ol
CID 103096436
1-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)propan-1-ol
CID 103096254

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-methyl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-1-ol?
The IUPAC name of 1-[5-(4-methyl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-1-ol (CID 103096203) is 1-[5-(4-methyl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-1-ol.
What is the SMILES notation for 1-[5-(4-methyl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-1-ol?
The canonical SMILES for 1-[5-(4-methyl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-1-ol is CCC(O)c1noc(-c2scnc2C)n1.
What is the InChIKey of 1-[5-(4-methyl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-1-ol?
The InChIKey is JEBSQHSXTQMUPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2S/c1-3-6(13)8-11-9(14-12-8)7-5(2)10-4-15-7/h4,6,13H,3H2,1-2H3.
What are the key properties of 1-[5-(4-methyl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-1-ol?
1-[5-(4-methyl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-1-ol has a molecular weight of 225.27 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-methyl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-1-ol is sourced from PubChem (CID 103096203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).