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

C12H15N3O3S — CID 122154778

IUPAC3-[2-(4-methoxyoxan-4-yl)-1,3-thiazol-4-yl]-4-methyl-1,2,5-oxadiazole
SMILESCOC1(c2nc(-c3nonc3C)cs2)CCOCC1
InChIInChI=1S/C12H15N3O3S/c1-8-10(15-18-14-8)9-7-19-11(13-9)12(16-2)3-5-17-6-4-12/h7H,3-6H2,1-2H3
InChIKeyWUHNJWKJSZEGIN-UHFFFAOYSA-N
MW281.34 g/mol
LogP2.15
Rot. Bonds3

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

3-[2-(4-methoxyoxan-4-yl)-1,3-thiazol-4-yl]-4-methyl-1,2,5-oxadiazole (PubChem CID 122154778) has the molecular formula C12H15N3O3S and a molecular weight of 281.34 g/mol. Its IUPAC name is 3-[2-(4-methoxyoxan-4-yl)-1,3-thiazol-4-yl]-4-methyl-1,2,5-oxadiazole.

Molecular Properties

Compound Name3-[2-(4-methoxyoxan-4-yl)-1,3-thiazol-4-yl]-4-methyl-1,2,5-oxadiazole
PubChem CID122154778
Molecular FormulaC12H15N3O3S
Molecular Weight281.34 g/mol
Exact Mass281.08
IUPAC Name3-[2-(4-methoxyoxan-4-yl)-1,3-thiazol-4-yl]-4-methyl-1,2,5-oxadiazole
SMILESCOC1(c2nc(-c3nonc3C)cs2)CCOCC1
InChIInChI=1S/C12H15N3O3S/c1-8-10(15-18-14-8)9-7-19-11(13-9)12(16-2)3-5-17-6-4-12/h7H,3-6H2,1-2H3
InChIKeyWUHNJWKJSZEGIN-UHFFFAOYSA-N
XLogP2.15
TPSA70.27 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-methoxyoxan-4-yl)-1,3-thiazol-4-yl]-4-methyl-1,2,5-oxadiazole?
The IUPAC name of 3-[2-(4-methoxyoxan-4-yl)-1,3-thiazol-4-yl]-4-methyl-1,2,5-oxadiazole (CID 122154778) is 3-[2-(4-methoxyoxan-4-yl)-1,3-thiazol-4-yl]-4-methyl-1,2,5-oxadiazole.
What is the SMILES notation for 3-[2-(4-methoxyoxan-4-yl)-1,3-thiazol-4-yl]-4-methyl-1,2,5-oxadiazole?
The canonical SMILES for 3-[2-(4-methoxyoxan-4-yl)-1,3-thiazol-4-yl]-4-methyl-1,2,5-oxadiazole is COC1(c2nc(-c3nonc3C)cs2)CCOCC1.
What is the InChIKey of 3-[2-(4-methoxyoxan-4-yl)-1,3-thiazol-4-yl]-4-methyl-1,2,5-oxadiazole?
The InChIKey is WUHNJWKJSZEGIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3S/c1-8-10(15-18-14-8)9-7-19-11(13-9)12(16-2)3-5-17-6-4-12/h7H,3-6H2,1-2H3.
What are the key properties of 3-[2-(4-methoxyoxan-4-yl)-1,3-thiazol-4-yl]-4-methyl-1,2,5-oxadiazole?
3-[2-(4-methoxyoxan-4-yl)-1,3-thiazol-4-yl]-4-methyl-1,2,5-oxadiazole has a molecular weight of 281.34 g/mol, XLogP of 2.15, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-methoxyoxan-4-yl)-1,3-thiazol-4-yl]-4-methyl-1,2,5-oxadiazole is sourced from PubChem (CID 122154778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).