3-methyl-5-(thiomorpholin-4-ylmethyl)-1,2,4-oxadiazole

C8H13N3OS — CID 126853112

IUPAC3-methyl-5-(thiomorpholin-4-ylmethyl)-1,2,4-oxadiazole
SMILESCc1noc(CN2CCSCC2)n1
InChIInChI=1S/C8H13N3OS/c1-7-9-8(12-10-7)6-11-2-4-13-5-3-11/h2-6H2,1H3
InChIKeyVKZCTILNIRDBIR-UHFFFAOYSA-N
MW199.28 g/mol
LogP0.93
Rot. Bonds2

About 3-methyl-5-(thiomorpholin-4-ylmethyl)-1,2,4-oxadiazole

3-methyl-5-(thiomorpholin-4-ylmethyl)-1,2,4-oxadiazole (PubChem CID 126853112) has the molecular formula C8H13N3OS and a molecular weight of 199.28 g/mol. Its IUPAC name is 3-methyl-5-(thiomorpholin-4-ylmethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-methyl-5-(thiomorpholin-4-ylmethyl)-1,2,4-oxadiazole
PubChem CID126853112
Molecular FormulaC8H13N3OS
Molecular Weight199.28 g/mol
Exact Mass199.08
IUPAC Name3-methyl-5-(thiomorpholin-4-ylmethyl)-1,2,4-oxadiazole
SMILESCc1noc(CN2CCSCC2)n1
InChIInChI=1S/C8H13N3OS/c1-7-9-8(12-10-7)6-11-2-4-13-5-3-11/h2-6H2,1H3
InChIKeyVKZCTILNIRDBIR-UHFFFAOYSA-N
XLogP0.93
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.28
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-5-[[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 51075925
1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxylic acid
CID 43414257
(2R)-1-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]butan-2-ol
CID 111488176
3-methyl-5-[(4-propan-2-ylsulfonylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
CID 163350275
3-(3-fluoro-4-methylphenyl)-5-(thiomorpholin-4-ylmethyl)-1,2,4-oxadiazole
CID 51081883
5-[[4-[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]piperazin-1-yl]methyl]-3-methyl-1,2,4-oxadiazole
CID 133344817
3-methyl-5-[[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 171323647
2-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]phenol
CID 32825591
5-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]methyl]-3-methyl-1,2,4-oxadiazole
CID 124803938
3-methyl-5-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
CID 18168055
3-methyl-5-[[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 155941729
5-(7-azabicyclo[2.2.1]heptan-7-ylmethyl)-3-methyl-1,2,4-oxadiazole
CID 126856950

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(thiomorpholin-4-ylmethyl)-1,2,4-oxadiazole?
The IUPAC name of 3-methyl-5-(thiomorpholin-4-ylmethyl)-1,2,4-oxadiazole (CID 126853112) is 3-methyl-5-(thiomorpholin-4-ylmethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-methyl-5-(thiomorpholin-4-ylmethyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-methyl-5-(thiomorpholin-4-ylmethyl)-1,2,4-oxadiazole is Cc1noc(CN2CCSCC2)n1.
What is the InChIKey of 3-methyl-5-(thiomorpholin-4-ylmethyl)-1,2,4-oxadiazole?
The InChIKey is VKZCTILNIRDBIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3OS/c1-7-9-8(12-10-7)6-11-2-4-13-5-3-11/h2-6H2,1H3.
What are the key properties of 3-methyl-5-(thiomorpholin-4-ylmethyl)-1,2,4-oxadiazole?
3-methyl-5-(thiomorpholin-4-ylmethyl)-1,2,4-oxadiazole has a molecular weight of 199.28 g/mol, XLogP of 0.93, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(thiomorpholin-4-ylmethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 126853112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).