1-(2,6-dimethylmorpholin-4-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone

C16H19N3O3S — CID 16537172

IUPAC1-(2,6-dimethylmorpholin-4-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone
SMILESCC1CN(C(=O)CSc2nnc(-c3ccccc3)o2)CC(C)O1
InChIInChI=1S/C16H19N3O3S/c1-11-8-19(9-12(2)21-11)14(20)10-23-16-18-17-15(22-16)13-6-4-3-5-7-13/h3-7,11-12H,8-10H2,1-2H3
InChIKeyJSULAEFMJIOPJV-UHFFFAOYSA-N
MW333.41 g/mol
LogP2.46
Rot. Bonds4

About 1-(2,6-dimethylmorpholin-4-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone

1-(2,6-dimethylmorpholin-4-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone (PubChem CID 16537172) has the molecular formula C16H19N3O3S and a molecular weight of 333.41 g/mol. Its IUPAC name is 1-(2,6-dimethylmorpholin-4-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone.

Molecular Properties

Compound Name1-(2,6-dimethylmorpholin-4-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone
PubChem CID16537172
Molecular FormulaC16H19N3O3S
Molecular Weight333.41 g/mol
Exact Mass333.11
IUPAC Name1-(2,6-dimethylmorpholin-4-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone
SMILESCC1CN(C(=O)CSc2nnc(-c3ccccc3)o2)CC(C)O1
InChIInChI=1S/C16H19N3O3S/c1-11-8-19(9-12(2)21-11)14(20)10-23-16-18-17-15(22-16)13-6-4-3-5-7-13/h3-7,11-12H,8-10H2,1-2H3
InChIKeyJSULAEFMJIOPJV-UHFFFAOYSA-N
XLogP2.46
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-(2,6-dimethylmorpholin-4-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylmorpholin-4-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone?
The IUPAC name of 1-(2,6-dimethylmorpholin-4-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone (CID 16537172) is 1-(2,6-dimethylmorpholin-4-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone.
What is the SMILES notation for 1-(2,6-dimethylmorpholin-4-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone?
The canonical SMILES for 1-(2,6-dimethylmorpholin-4-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone is CC1CN(C(=O)CSc2nnc(-c3ccccc3)o2)CC(C)O1.
What is the InChIKey of 1-(2,6-dimethylmorpholin-4-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone?
The InChIKey is JSULAEFMJIOPJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3S/c1-11-8-19(9-12(2)21-11)14(20)10-23-16-18-17-15(22-16)13-6-4-3-5-7-13/h3-7,11-12H,8-10H2,1-2H3.
What are the key properties of 1-(2,6-dimethylmorpholin-4-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone?
1-(2,6-dimethylmorpholin-4-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone has a molecular weight of 333.41 g/mol, XLogP of 2.46, 4 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-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone is sourced from PubChem (CID 16537172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).