N'-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-N,2-diethylthiomorpholine-4-carboximidamide

C16H28N4OS — CID 109486966

IUPACN'-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-N,2-diethylthiomorpholine-4-carboximidamide
SMILESCCN/C(=N\CCc1c(C)noc1C)N1CCSC(CC)C1
InChIInChI=1S/C16H28N4OS/c1-5-14-11-20(9-10-22-14)16(17-6-2)18-8-7-15-12(3)19-21-13(15)4/h14H,5-11H2,1-4H3,(H,17,18)
InChIKeyKLOCCUZGWNEJHW-UHFFFAOYSA-N
MW324.49 g/mol
LogP2.63
Rot. Bonds5

About N'-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-N,2-diethylthiomorpholine-4-carboximidamide

N'-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-N,2-diethylthiomorpholine-4-carboximidamide (PubChem CID 109486966) has the molecular formula C16H28N4OS and a molecular weight of 324.49 g/mol. Its IUPAC name is N'-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-N,2-diethylthiomorpholine-4-carboximidamide.

Molecular Properties

Compound NameN'-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-N,2-diethylthiomorpholine-4-carboximidamide
PubChem CID109486966
Molecular FormulaC16H28N4OS
Molecular Weight324.49 g/mol
Exact Mass324.20
IUPAC NameN'-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-N,2-diethylthiomorpholine-4-carboximidamide
SMILESCCN/C(=N\CCc1c(C)noc1C)N1CCSC(CC)C1
InChIInChI=1S/C16H28N4OS/c1-5-14-11-20(9-10-22-14)16(17-6-2)18-8-7-15-12(3)19-21-13(15)4/h14H,5-11H2,1-4H3,(H,17,18)
InChIKeyKLOCCUZGWNEJHW-UHFFFAOYSA-N
XLogP2.63
TPSA53.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.49
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-ethyl-N'-methylthiomorpholine-4-carboximidamide;hydroiodide
CID 109486963
N,2-diethyl-N'-propylthiomorpholine-4-carboximidamide
CID 109486532
N'-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-N-ethyl-3-piperidin-1-ylpyrrolidine-1-carboximidamide
CID 119158479
N'-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-N-ethyl-1,3,3a,4,5,6,7,7a-octahydro-4,7-epoxyisoindole-2-carboximidamide
CID 119158725
N,2-diethyl-N'-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 109485307
N,2-diethyl-N'-[3-(5-methyl-1H-pyrazol-4-yl)propyl]thiomorpholine-4-carboximidamide
CID 109486322
N'-[2-(2,6-dioxopiperidin-1-yl)ethyl]-N,2-diethylthiomorpholine-4-carboximidamide
CID 109485266
N'-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-N-ethyl-3-methyl-3-propylpiperidine-1-carboximidamide
CID 109490904
N,2-diethyl-N'-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]thiomorpholine-4-carboximidamide
CID 109485304
N'-(2-butoxyethyl)-N,2-diethylthiomorpholine-4-carboximidamide
CID 109485608
N,2-diethyl-N'-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 109485144
N,2-diethyl-N'-(2-imidazo[1,2-a]pyridin-2-ylethyl)thiomorpholine-4-carboximidamide
CID 109485966

Frequently Asked Questions

What is the IUPAC name of N'-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-N,2-diethylthiomorpholine-4-carboximidamide?
The IUPAC name of N'-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-N,2-diethylthiomorpholine-4-carboximidamide (CID 109486966) is N'-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-N,2-diethylthiomorpholine-4-carboximidamide.
What is the SMILES notation for N'-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-N,2-diethylthiomorpholine-4-carboximidamide?
The canonical SMILES for N'-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-N,2-diethylthiomorpholine-4-carboximidamide is CCN/C(=N\CCc1c(C)noc1C)N1CCSC(CC)C1.
What is the InChIKey of N'-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-N,2-diethylthiomorpholine-4-carboximidamide?
The InChIKey is KLOCCUZGWNEJHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4OS/c1-5-14-11-20(9-10-22-14)16(17-6-2)18-8-7-15-12(3)19-21-13(15)4/h14H,5-11H2,1-4H3,(H,17,18).
What are the key properties of N'-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-N,2-diethylthiomorpholine-4-carboximidamide?
N'-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-N,2-diethylthiomorpholine-4-carboximidamide has a molecular weight of 324.49 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-N,2-diethylthiomorpholine-4-carboximidamide is sourced from PubChem (CID 109486966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).