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

C9H14N2OS — CID 171326405

IUPAC3-methyl-5-(thiomorpholin-4-ylmethyl)-1,2-oxazole
SMILESCc1cc(CN2CCSCC2)on1
InChIInChI=1S/C9H14N2OS/c1-8-6-9(12-10-8)7-11-2-4-13-5-3-11/h6H,2-5,7H2,1H3
InChIKeyZOYMWNGPSNNXFS-UHFFFAOYSA-N
MW198.29 g/mol
LogP1.53
Rot. Bonds2

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

3-methyl-5-(thiomorpholin-4-ylmethyl)-1,2-oxazole (PubChem CID 171326405) has the molecular formula C9H14N2OS and a molecular weight of 198.29 g/mol. Its IUPAC name is 3-methyl-5-(thiomorpholin-4-ylmethyl)-1,2-oxazole.

Molecular Properties

Compound Name3-methyl-5-(thiomorpholin-4-ylmethyl)-1,2-oxazole
PubChem CID171326405
Molecular FormulaC9H14N2OS
Molecular Weight198.29 g/mol
Exact Mass198.08
IUPAC Name3-methyl-5-(thiomorpholin-4-ylmethyl)-1,2-oxazole
SMILESCc1cc(CN2CCSCC2)on1
InChIInChI=1S/C9H14N2OS/c1-8-6-9(12-10-8)7-11-2-4-13-5-3-11/h6H,2-5,7H2,1H3
InChIKeyZOYMWNGPSNNXFS-UHFFFAOYSA-N
XLogP1.53
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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1-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]ethanamine
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3-methyl-5-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-1,2-oxazole
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(2R)-3,3-dimethyl-1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]butan-2-ol
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2-amino-1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]ethanone;dihydrochloride
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2-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]oxyethanol
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3-amino-1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]butan-1-one;dihydrochloride
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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(thiomorpholin-4-ylmethyl)-1,2-oxazole?
The IUPAC name of 3-methyl-5-(thiomorpholin-4-ylmethyl)-1,2-oxazole (CID 171326405) is 3-methyl-5-(thiomorpholin-4-ylmethyl)-1,2-oxazole.
What is the SMILES notation for 3-methyl-5-(thiomorpholin-4-ylmethyl)-1,2-oxazole?
The canonical SMILES for 3-methyl-5-(thiomorpholin-4-ylmethyl)-1,2-oxazole is Cc1cc(CN2CCSCC2)on1.
What is the InChIKey of 3-methyl-5-(thiomorpholin-4-ylmethyl)-1,2-oxazole?
The InChIKey is ZOYMWNGPSNNXFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2OS/c1-8-6-9(12-10-8)7-11-2-4-13-5-3-11/h6H,2-5,7H2,1H3.
What are the key properties of 3-methyl-5-(thiomorpholin-4-ylmethyl)-1,2-oxazole?
3-methyl-5-(thiomorpholin-4-ylmethyl)-1,2-oxazole has a molecular weight of 198.29 g/mol, XLogP of 1.53, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(thiomorpholin-4-ylmethyl)-1,2-oxazole is sourced from PubChem (CID 171326405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).