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

C8H12N2OS — CID 54024148

IUPAC3-(thiomorpholin-4-ylmethyl)-1,2-oxazole
SMILESc1cc(CN2CCSCC2)no1
InChIInChI=1S/C8H12N2OS/c1-4-11-9-8(1)7-10-2-5-12-6-3-10/h1,4H,2-3,5-7H2
InChIKeyPOWSQKFTYVREPJ-UHFFFAOYSA-N
MW184.26 g/mol
LogP1.22
Rot. Bonds2

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

3-(thiomorpholin-4-ylmethyl)-1,2-oxazole (PubChem CID 54024148) has the molecular formula C8H12N2OS and a molecular weight of 184.26 g/mol. Its IUPAC name is 3-(thiomorpholin-4-ylmethyl)-1,2-oxazole.

Molecular Properties

Compound Name3-(thiomorpholin-4-ylmethyl)-1,2-oxazole
PubChem CID54024148
Molecular FormulaC8H12N2OS
Molecular Weight184.26 g/mol
Exact Mass184.07
IUPAC Name3-(thiomorpholin-4-ylmethyl)-1,2-oxazole
SMILESc1cc(CN2CCSCC2)no1
InChIInChI=1S/C8H12N2OS/c1-4-11-9-8(1)7-10-2-5-12-6-3-10/h1,4H,2-3,5-7H2
InChIKeyPOWSQKFTYVREPJ-UHFFFAOYSA-N
XLogP1.22
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(thiomorpholin-4-ylmethyl)-1,2-oxazole?
The IUPAC name of 3-(thiomorpholin-4-ylmethyl)-1,2-oxazole (CID 54024148) is 3-(thiomorpholin-4-ylmethyl)-1,2-oxazole.
What is the SMILES notation for 3-(thiomorpholin-4-ylmethyl)-1,2-oxazole?
The canonical SMILES for 3-(thiomorpholin-4-ylmethyl)-1,2-oxazole is c1cc(CN2CCSCC2)no1.
What is the InChIKey of 3-(thiomorpholin-4-ylmethyl)-1,2-oxazole?
The InChIKey is POWSQKFTYVREPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2OS/c1-4-11-9-8(1)7-10-2-5-12-6-3-10/h1,4H,2-3,5-7H2.
What are the key properties of 3-(thiomorpholin-4-ylmethyl)-1,2-oxazole?
3-(thiomorpholin-4-ylmethyl)-1,2-oxazole has a molecular weight of 184.26 g/mol, XLogP of 1.22, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(thiomorpholin-4-ylmethyl)-1,2-oxazole is sourced from PubChem (CID 54024148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).