3-(2-methoxybutan-2-yl)-5-thiomorpholin-3-yl-1,2,4-oxadiazole

C11H19N3O2S — CID 116740470

IUPAC3-(2-methoxybutan-2-yl)-5-thiomorpholin-3-yl-1,2,4-oxadiazole
SMILESCCC(C)(OC)c1noc(C2CSCCN2)n1
InChIInChI=1S/C11H19N3O2S/c1-4-11(2,15-3)10-13-9(16-14-10)8-7-17-6-5-12-8/h8,12H,4-7H2,1-3H3
InChIKeyDKPWRPGCYLZYGI-UHFFFAOYSA-N
MW257.36 g/mol
LogP1.72
Rot. Bonds4

About 3-(2-methoxybutan-2-yl)-5-thiomorpholin-3-yl-1,2,4-oxadiazole

3-(2-methoxybutan-2-yl)-5-thiomorpholin-3-yl-1,2,4-oxadiazole (PubChem CID 116740470) has the molecular formula C11H19N3O2S and a molecular weight of 257.36 g/mol. Its IUPAC name is 3-(2-methoxybutan-2-yl)-5-thiomorpholin-3-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(2-methoxybutan-2-yl)-5-thiomorpholin-3-yl-1,2,4-oxadiazole
PubChem CID116740470
Molecular FormulaC11H19N3O2S
Molecular Weight257.36 g/mol
Exact Mass257.12
IUPAC Name3-(2-methoxybutan-2-yl)-5-thiomorpholin-3-yl-1,2,4-oxadiazole
SMILESCCC(C)(OC)c1noc(C2CSCCN2)n1
InChIInChI=1S/C11H19N3O2S/c1-4-11(2,15-3)10-13-9(16-14-10)8-7-17-6-5-12-8/h8,12H,4-7H2,1-3H3
InChIKeyDKPWRPGCYLZYGI-UHFFFAOYSA-N
XLogP1.72
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxybutan-2-yl)-5-thiomorpholin-3-yl-1,2,4-oxadiazole?
The IUPAC name of 3-(2-methoxybutan-2-yl)-5-thiomorpholin-3-yl-1,2,4-oxadiazole (CID 116740470) is 3-(2-methoxybutan-2-yl)-5-thiomorpholin-3-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-(2-methoxybutan-2-yl)-5-thiomorpholin-3-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-(2-methoxybutan-2-yl)-5-thiomorpholin-3-yl-1,2,4-oxadiazole is CCC(C)(OC)c1noc(C2CSCCN2)n1.
What is the InChIKey of 3-(2-methoxybutan-2-yl)-5-thiomorpholin-3-yl-1,2,4-oxadiazole?
The InChIKey is DKPWRPGCYLZYGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S/c1-4-11(2,15-3)10-13-9(16-14-10)8-7-17-6-5-12-8/h8,12H,4-7H2,1-3H3.
What are the key properties of 3-(2-methoxybutan-2-yl)-5-thiomorpholin-3-yl-1,2,4-oxadiazole?
3-(2-methoxybutan-2-yl)-5-thiomorpholin-3-yl-1,2,4-oxadiazole has a molecular weight of 257.36 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxybutan-2-yl)-5-thiomorpholin-3-yl-1,2,4-oxadiazole is sourced from PubChem (CID 116740470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).