(2,5-dimethyl-1,3-oxazol-4-yl)-thiomorpholin-4-ylmethanone

C10H14N2O2S — CID 53195166

IUPAC(2,5-dimethyl-1,3-oxazol-4-yl)-thiomorpholin-4-ylmethanone
SMILESCc1nc(C(=O)N2CCSCC2)c(C)o1
InChIInChI=1S/C10H14N2O2S/c1-7-9(11-8(2)14-7)10(13)12-3-5-15-6-4-12/h3-6H2,1-2H3
InChIKeyLFDCYEPGRWRCHK-UHFFFAOYSA-N
MW226.30 g/mol
LogP1.48
Rot. Bonds1

About (2,5-dimethyl-1,3-oxazol-4-yl)-thiomorpholin-4-ylmethanone

(2,5-dimethyl-1,3-oxazol-4-yl)-thiomorpholin-4-ylmethanone (PubChem CID 53195166) has the molecular formula C10H14N2O2S and a molecular weight of 226.30 g/mol. Its IUPAC name is (2,5-dimethyl-1,3-oxazol-4-yl)-thiomorpholin-4-ylmethanone.

Molecular Properties

Compound Name(2,5-dimethyl-1,3-oxazol-4-yl)-thiomorpholin-4-ylmethanone
PubChem CID53195166
Molecular FormulaC10H14N2O2S
Molecular Weight226.30 g/mol
Exact Mass226.08
IUPAC Name(2,5-dimethyl-1,3-oxazol-4-yl)-thiomorpholin-4-ylmethanone
SMILESCc1nc(C(=O)N2CCSCC2)c(C)o1
InChIInChI=1S/C10H14N2O2S/c1-7-9(11-8(2)14-7)10(13)12-3-5-15-6-4-12/h3-6H2,1-2H3
InChIKeyLFDCYEPGRWRCHK-UHFFFAOYSA-N
XLogP1.48
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2,5-dimethyl-1,3-oxazol-4-yl)-thiomorpholin-4-ylmethanone?
The IUPAC name of (2,5-dimethyl-1,3-oxazol-4-yl)-thiomorpholin-4-ylmethanone (CID 53195166) is (2,5-dimethyl-1,3-oxazol-4-yl)-thiomorpholin-4-ylmethanone.
What is the SMILES notation for (2,5-dimethyl-1,3-oxazol-4-yl)-thiomorpholin-4-ylmethanone?
The canonical SMILES for (2,5-dimethyl-1,3-oxazol-4-yl)-thiomorpholin-4-ylmethanone is Cc1nc(C(=O)N2CCSCC2)c(C)o1.
What is the InChIKey of (2,5-dimethyl-1,3-oxazol-4-yl)-thiomorpholin-4-ylmethanone?
The InChIKey is LFDCYEPGRWRCHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2S/c1-7-9(11-8(2)14-7)10(13)12-3-5-15-6-4-12/h3-6H2,1-2H3.
What are the key properties of (2,5-dimethyl-1,3-oxazol-4-yl)-thiomorpholin-4-ylmethanone?
(2,5-dimethyl-1,3-oxazol-4-yl)-thiomorpholin-4-ylmethanone has a molecular weight of 226.30 g/mol, XLogP of 1.48, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethyl-1,3-oxazol-4-yl)-thiomorpholin-4-ylmethanone is sourced from PubChem (CID 53195166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).