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

C13H17N3O3S — CID 100677041

IUPAC3-(4-methoxyoxan-4-yl)-5-[2-(1,3-thiazol-4-yl)ethyl]-1,2,4-oxadiazole
SMILESCOC1(c2noc(CCc3cscn3)n2)CCOCC1
InChIInChI=1S/C13H17N3O3S/c1-17-13(4-6-18-7-5-13)12-15-11(19-16-12)3-2-10-8-20-9-14-10/h8-9H,2-7H2,1H3
InChIKeyIRJSUIXXRRCBDA-UHFFFAOYSA-N
MW295.36 g/mol
LogP1.96
Rot. Bonds5

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

3-(4-methoxyoxan-4-yl)-5-[2-(1,3-thiazol-4-yl)ethyl]-1,2,4-oxadiazole (PubChem CID 100677041) has the molecular formula C13H17N3O3S and a molecular weight of 295.36 g/mol. Its IUPAC name is 3-(4-methoxyoxan-4-yl)-5-[2-(1,3-thiazol-4-yl)ethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(4-methoxyoxan-4-yl)-5-[2-(1,3-thiazol-4-yl)ethyl]-1,2,4-oxadiazole
PubChem CID100677041
Molecular FormulaC13H17N3O3S
Molecular Weight295.36 g/mol
Exact Mass295.10
IUPAC Name3-(4-methoxyoxan-4-yl)-5-[2-(1,3-thiazol-4-yl)ethyl]-1,2,4-oxadiazole
SMILESCOC1(c2noc(CCc3cscn3)n2)CCOCC1
InChIInChI=1S/C13H17N3O3S/c1-17-13(4-6-18-7-5-13)12-15-11(19-16-12)3-2-10-8-20-9-14-10/h8-9H,2-7H2,1H3
InChIKeyIRJSUIXXRRCBDA-UHFFFAOYSA-N
XLogP1.96
TPSA70.27 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyoxan-4-yl)-5-[2-(1,3-thiazol-4-yl)ethyl]-1,2,4-oxadiazole?
The IUPAC name of 3-(4-methoxyoxan-4-yl)-5-[2-(1,3-thiazol-4-yl)ethyl]-1,2,4-oxadiazole (CID 100677041) is 3-(4-methoxyoxan-4-yl)-5-[2-(1,3-thiazol-4-yl)ethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(4-methoxyoxan-4-yl)-5-[2-(1,3-thiazol-4-yl)ethyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(4-methoxyoxan-4-yl)-5-[2-(1,3-thiazol-4-yl)ethyl]-1,2,4-oxadiazole is COC1(c2noc(CCc3cscn3)n2)CCOCC1.
What is the InChIKey of 3-(4-methoxyoxan-4-yl)-5-[2-(1,3-thiazol-4-yl)ethyl]-1,2,4-oxadiazole?
The InChIKey is IRJSUIXXRRCBDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3S/c1-17-13(4-6-18-7-5-13)12-15-11(19-16-12)3-2-10-8-20-9-14-10/h8-9H,2-7H2,1H3.
What are the key properties of 3-(4-methoxyoxan-4-yl)-5-[2-(1,3-thiazol-4-yl)ethyl]-1,2,4-oxadiazole?
3-(4-methoxyoxan-4-yl)-5-[2-(1,3-thiazol-4-yl)ethyl]-1,2,4-oxadiazole has a molecular weight of 295.36 g/mol, XLogP of 1.96, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyoxan-4-yl)-5-[2-(1,3-thiazol-4-yl)ethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 100677041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).