3-(2-methoxyethyl)-5-(2-propyl-1,3-thiazol-4-yl)-1,2,4-oxadiazole

C11H15N3O2S — CID 72849759

IUPAC3-(2-methoxyethyl)-5-(2-propyl-1,3-thiazol-4-yl)-1,2,4-oxadiazole
SMILESCCCc1nc(-c2nc(CCOC)no2)cs1
InChIInChI=1S/C11H15N3O2S/c1-3-4-10-12-8(7-17-10)11-13-9(14-16-11)5-6-15-2/h7H,3-6H2,1-2H3
InChIKeyVVRHDIFWXXQXFJ-UHFFFAOYSA-N
MW253.33 g/mol
LogP2.33
Rot. Bonds6

About 3-(2-methoxyethyl)-5-(2-propyl-1,3-thiazol-4-yl)-1,2,4-oxadiazole

3-(2-methoxyethyl)-5-(2-propyl-1,3-thiazol-4-yl)-1,2,4-oxadiazole (PubChem CID 72849759) has the molecular formula C11H15N3O2S and a molecular weight of 253.33 g/mol. Its IUPAC name is 3-(2-methoxyethyl)-5-(2-propyl-1,3-thiazol-4-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(2-methoxyethyl)-5-(2-propyl-1,3-thiazol-4-yl)-1,2,4-oxadiazole
PubChem CID72849759
Molecular FormulaC11H15N3O2S
Molecular Weight253.33 g/mol
Exact Mass253.09
IUPAC Name3-(2-methoxyethyl)-5-(2-propyl-1,3-thiazol-4-yl)-1,2,4-oxadiazole
SMILESCCCc1nc(-c2nc(CCOC)no2)cs1
InChIInChI=1S/C11H15N3O2S/c1-3-4-10-12-8(7-17-10)11-13-9(14-16-11)5-6-15-2/h7H,3-6H2,1-2H3
InChIKeyVVRHDIFWXXQXFJ-UHFFFAOYSA-N
XLogP2.33
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethyl)-5-(2-propyl-1,3-thiazol-4-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(2-methoxyethyl)-5-(2-propyl-1,3-thiazol-4-yl)-1,2,4-oxadiazole (CID 72849759) is 3-(2-methoxyethyl)-5-(2-propyl-1,3-thiazol-4-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(2-methoxyethyl)-5-(2-propyl-1,3-thiazol-4-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(2-methoxyethyl)-5-(2-propyl-1,3-thiazol-4-yl)-1,2,4-oxadiazole is CCCc1nc(-c2nc(CCOC)no2)cs1.
What is the InChIKey of 3-(2-methoxyethyl)-5-(2-propyl-1,3-thiazol-4-yl)-1,2,4-oxadiazole?
The InChIKey is VVRHDIFWXXQXFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2S/c1-3-4-10-12-8(7-17-10)11-13-9(14-16-11)5-6-15-2/h7H,3-6H2,1-2H3.
What are the key properties of 3-(2-methoxyethyl)-5-(2-propyl-1,3-thiazol-4-yl)-1,2,4-oxadiazole?
3-(2-methoxyethyl)-5-(2-propyl-1,3-thiazol-4-yl)-1,2,4-oxadiazole has a molecular weight of 253.33 g/mol, XLogP of 2.33, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethyl)-5-(2-propyl-1,3-thiazol-4-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 72849759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).