1-(2,6-dimethylmorpholin-4-yl)-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]ethanone

C16H20N2O3S2 — CID 49014043

IUPAC1-(2,6-dimethylmorpholin-4-yl)-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]ethanone
SMILESCC1CN(C(=O)CSCc2cc(-c3cccs3)on2)CC(C)O1
InChIInChI=1S/C16H20N2O3S2/c1-11-7-18(8-12(2)20-11)16(19)10-22-9-13-6-14(21-17-13)15-4-3-5-23-15/h3-6,11-12H,7-10H2,1-2H3
InChIKeyZQAXVOPYTFYPHF-UHFFFAOYSA-N
MW352.48 g/mol
LogP3.27
Rot. Bonds5

About 1-(2,6-dimethylmorpholin-4-yl)-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]ethanone

1-(2,6-dimethylmorpholin-4-yl)-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]ethanone (PubChem CID 49014043) has the molecular formula C16H20N2O3S2 and a molecular weight of 352.48 g/mol. Its IUPAC name is 1-(2,6-dimethylmorpholin-4-yl)-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]ethanone.

Molecular Properties

Compound Name1-(2,6-dimethylmorpholin-4-yl)-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]ethanone
PubChem CID49014043
Molecular FormulaC16H20N2O3S2
Molecular Weight352.48 g/mol
Exact Mass352.09
IUPAC Name1-(2,6-dimethylmorpholin-4-yl)-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]ethanone
SMILESCC1CN(C(=O)CSCc2cc(-c3cccs3)on2)CC(C)O1
InChIInChI=1S/C16H20N2O3S2/c1-11-7-18(8-12(2)20-11)16(19)10-22-9-13-6-14(21-17-13)15-4-3-5-23-15/h3-6,11-12H,7-10H2,1-2H3
InChIKeyZQAXVOPYTFYPHF-UHFFFAOYSA-N
XLogP3.27
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylmorpholin-4-yl)-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]ethanone?
The IUPAC name of 1-(2,6-dimethylmorpholin-4-yl)-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]ethanone (CID 49014043) is 1-(2,6-dimethylmorpholin-4-yl)-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]ethanone.
What is the SMILES notation for 1-(2,6-dimethylmorpholin-4-yl)-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]ethanone?
The canonical SMILES for 1-(2,6-dimethylmorpholin-4-yl)-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]ethanone is CC1CN(C(=O)CSCc2cc(-c3cccs3)on2)CC(C)O1.
What is the InChIKey of 1-(2,6-dimethylmorpholin-4-yl)-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]ethanone?
The InChIKey is ZQAXVOPYTFYPHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3S2/c1-11-7-18(8-12(2)20-11)16(19)10-22-9-13-6-14(21-17-13)15-4-3-5-23-15/h3-6,11-12H,7-10H2,1-2H3.
What are the key properties of 1-(2,6-dimethylmorpholin-4-yl)-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]ethanone?
1-(2,6-dimethylmorpholin-4-yl)-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]ethanone has a molecular weight of 352.48 g/mol, XLogP of 3.27, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylmorpholin-4-yl)-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]ethanone is sourced from PubChem (CID 49014043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).