3-[(1R)-1-methoxyethyl]-5-(4-methyl-1,3-thiazol-5-yl)-1,2,4-oxadiazole

C9H11N3O2S — CID 95972499

IUPAC3-[(1R)-1-methoxyethyl]-5-(4-methyl-1,3-thiazol-5-yl)-1,2,4-oxadiazole
SMILESCO[C@H](C)c1noc(-c2scnc2C)n1
InChIInChI=1S/C9H11N3O2S/c1-5-7(15-4-10-5)9-11-8(12-14-9)6(2)13-3/h4,6H,1-3H3/t6-/m1/s1
InChIKeyXYKMVQOMEFENBQ-ZCFIWIBFSA-N
MW225.27 g/mol
LogP2.21
Rot. Bonds3

About 3-[(1R)-1-methoxyethyl]-5-(4-methyl-1,3-thiazol-5-yl)-1,2,4-oxadiazole

3-[(1R)-1-methoxyethyl]-5-(4-methyl-1,3-thiazol-5-yl)-1,2,4-oxadiazole (PubChem CID 95972499) has the molecular formula C9H11N3O2S and a molecular weight of 225.27 g/mol. Its IUPAC name is 3-[(1R)-1-methoxyethyl]-5-(4-methyl-1,3-thiazol-5-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[(1R)-1-methoxyethyl]-5-(4-methyl-1,3-thiazol-5-yl)-1,2,4-oxadiazole
PubChem CID95972499
Molecular FormulaC9H11N3O2S
Molecular Weight225.27 g/mol
Exact Mass225.06
IUPAC Name3-[(1R)-1-methoxyethyl]-5-(4-methyl-1,3-thiazol-5-yl)-1,2,4-oxadiazole
SMILESCO[C@H](C)c1noc(-c2scnc2C)n1
InChIInChI=1S/C9H11N3O2S/c1-5-7(15-4-10-5)9-11-8(12-14-9)6(2)13-3/h4,6H,1-3H3/t6-/m1/s1
InChIKeyXYKMVQOMEFENBQ-ZCFIWIBFSA-N
XLogP2.21
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[5-(4-methyl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-1-ol
CID 103096203
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]propan-2-amine
CID 61325491
2-[5-(4-methyl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 61334499
1-[5-(4-methyl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 61354307
3-fluoro-2-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136967854
5-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]-2-methylaniline
CID 79614402
5-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]-2-methylphenol
CID 79605219
2-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]-4-methylaniline
CID 79613479
5-(4-methyl-1,3-thiazol-5-yl)-3-[(2-propoxyphenoxy)methyl]-1,2,4-oxadiazole
CID 71918844
4-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine
CID 79613889
5-fluoro-2-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]aniline
CID 79613649

Frequently Asked Questions

What is the IUPAC name of 3-[(1R)-1-methoxyethyl]-5-(4-methyl-1,3-thiazol-5-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-[(1R)-1-methoxyethyl]-5-(4-methyl-1,3-thiazol-5-yl)-1,2,4-oxadiazole (CID 95972499) is 3-[(1R)-1-methoxyethyl]-5-(4-methyl-1,3-thiazol-5-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-[(1R)-1-methoxyethyl]-5-(4-methyl-1,3-thiazol-5-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-[(1R)-1-methoxyethyl]-5-(4-methyl-1,3-thiazol-5-yl)-1,2,4-oxadiazole is CO[C@H](C)c1noc(-c2scnc2C)n1.
What is the InChIKey of 3-[(1R)-1-methoxyethyl]-5-(4-methyl-1,3-thiazol-5-yl)-1,2,4-oxadiazole?
The InChIKey is XYKMVQOMEFENBQ-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H11N3O2S/c1-5-7(15-4-10-5)9-11-8(12-14-9)6(2)13-3/h4,6H,1-3H3/t6-/m1/s1.
What are the key properties of 3-[(1R)-1-methoxyethyl]-5-(4-methyl-1,3-thiazol-5-yl)-1,2,4-oxadiazole?
3-[(1R)-1-methoxyethyl]-5-(4-methyl-1,3-thiazol-5-yl)-1,2,4-oxadiazole has a molecular weight of 225.27 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R)-1-methoxyethyl]-5-(4-methyl-1,3-thiazol-5-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 95972499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).