4-ethyl-5-methyl-2-thiomorpholin-3-yl-1,3-oxazole

C10H16N2OS — CID 105466255

IUPAC4-ethyl-5-methyl-2-thiomorpholin-3-yl-1,3-oxazole
SMILESCCc1nc(C2CSCCN2)oc1C
InChIInChI=1S/C10H16N2OS/c1-3-8-7(2)13-10(12-8)9-6-14-5-4-11-9/h9,11H,3-6H2,1-2H3
InChIKeyPFKKQDJJVRJXLD-UHFFFAOYSA-N
MW212.32 g/mol
LogP1.92
Rot. Bonds2

About 4-ethyl-5-methyl-2-thiomorpholin-3-yl-1,3-oxazole

4-ethyl-5-methyl-2-thiomorpholin-3-yl-1,3-oxazole (PubChem CID 105466255) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is 4-ethyl-5-methyl-2-thiomorpholin-3-yl-1,3-oxazole.

Molecular Properties

Compound Name4-ethyl-5-methyl-2-thiomorpholin-3-yl-1,3-oxazole
PubChem CID105466255
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC Name4-ethyl-5-methyl-2-thiomorpholin-3-yl-1,3-oxazole
SMILESCCc1nc(C2CSCCN2)oc1C
InChIInChI=1S/C10H16N2OS/c1-3-8-7(2)13-10(12-8)9-6-14-5-4-11-9/h9,11H,3-6H2,1-2H3
InChIKeyPFKKQDJJVRJXLD-UHFFFAOYSA-N
XLogP1.92
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-methyl-2-thiomorpholin-3-yl-1,3-oxazole?
The IUPAC name of 4-ethyl-5-methyl-2-thiomorpholin-3-yl-1,3-oxazole (CID 105466255) is 4-ethyl-5-methyl-2-thiomorpholin-3-yl-1,3-oxazole.
What is the SMILES notation for 4-ethyl-5-methyl-2-thiomorpholin-3-yl-1,3-oxazole?
The canonical SMILES for 4-ethyl-5-methyl-2-thiomorpholin-3-yl-1,3-oxazole is CCc1nc(C2CSCCN2)oc1C.
What is the InChIKey of 4-ethyl-5-methyl-2-thiomorpholin-3-yl-1,3-oxazole?
The InChIKey is PFKKQDJJVRJXLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS/c1-3-8-7(2)13-10(12-8)9-6-14-5-4-11-9/h9,11H,3-6H2,1-2H3.
What are the key properties of 4-ethyl-5-methyl-2-thiomorpholin-3-yl-1,3-oxazole?
4-ethyl-5-methyl-2-thiomorpholin-3-yl-1,3-oxazole has a molecular weight of 212.32 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-methyl-2-thiomorpholin-3-yl-1,3-oxazole is sourced from PubChem (CID 105466255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).