2-[[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]morpholine

C11H17N3O2S — CID 80620260

IUPAC2-[[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]morpholine
SMILESC1CSC(c2noc(CC3CNCCO3)n2)C1
InChIInChI=1S/C11H17N3O2S/c1-2-9(17-5-1)11-13-10(16-14-11)6-8-7-12-3-4-15-8/h8-9,12H,1-7H2
InChIKeyLJZRICCIHHFMDP-UHFFFAOYSA-N
MW255.34 g/mol
LogP1.17
Rot. Bonds3

About 2-[[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]morpholine

2-[[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]morpholine (PubChem CID 80620260) has the molecular formula C11H17N3O2S and a molecular weight of 255.34 g/mol. Its IUPAC name is 2-[[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]morpholine.

Molecular Properties

Compound Name2-[[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]morpholine
PubChem CID80620260
Molecular FormulaC11H17N3O2S
Molecular Weight255.34 g/mol
Exact Mass255.10
IUPAC Name2-[[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]morpholine
SMILESC1CSC(c2noc(CC3CNCCO3)n2)C1
InChIInChI=1S/C11H17N3O2S/c1-2-9(17-5-1)11-13-10(16-14-11)6-8-7-12-3-4-15-8/h8-9,12H,1-7H2
InChIKeyLJZRICCIHHFMDP-UHFFFAOYSA-N
XLogP1.17
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]morpholine
CID 124511228
5-(piperidin-3-ylmethyl)-3-(thiolan-2-yl)-1,2,4-oxadiazole
CID 80620996
2-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]morpholine
CID 66435007
5-(pyrrolidin-3-ylmethyl)-3-(thian-2-yl)-1,2,4-oxadiazole
CID 80621101
2-[[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine
CID 66435398
2-[[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine
CID 66434808
[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]methanamine
CID 80620872
2-[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]acetaldehyde
CID 115080477
2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]morpholine
CID 66434031
5-[(3S)-piperidin-3-yl]-3-(thiolan-2-yl)-1,2,4-oxadiazole
CID 104911980
2-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]morpholine
CID 79405738
5-(2,3-dihydro-1H-indol-3-ylmethyl)-3-(thiolan-2-yl)-1,2,4-oxadiazole
CID 80620238

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]morpholine?
The IUPAC name of 2-[[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]morpholine (CID 80620260) is 2-[[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]morpholine.
What is the SMILES notation for 2-[[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]morpholine?
The canonical SMILES for 2-[[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]morpholine is C1CSC(c2noc(CC3CNCCO3)n2)C1.
What is the InChIKey of 2-[[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]morpholine?
The InChIKey is LJZRICCIHHFMDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2S/c1-2-9(17-5-1)11-13-10(16-14-11)6-8-7-12-3-4-15-8/h8-9,12H,1-7H2.
What are the key properties of 2-[[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]morpholine?
2-[[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]morpholine has a molecular weight of 255.34 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]morpholine is sourced from PubChem (CID 80620260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).