2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethanone

C14H22N2O4S — CID 102934323

IUPAC2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethanone
SMILESCc1noc(C)c1CSCC(=O)N1CC(C)OC(CO)C1
InChIInChI=1S/C14H22N2O4S/c1-9-4-16(5-12(6-17)19-9)14(18)8-21-7-13-10(2)15-20-11(13)3/h9,12,17H,4-8H2,1-3H3
InChIKeyWHLJKTBPSNUAAA-UHFFFAOYSA-N
MW314.41 g/mol
LogP1.13
Rot. Bonds5

About 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethanone

2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethanone (PubChem CID 102934323) has the molecular formula C14H22N2O4S and a molecular weight of 314.41 g/mol. Its IUPAC name is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethanone.

Molecular Properties

Compound Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethanone
PubChem CID102934323
Molecular FormulaC14H22N2O4S
Molecular Weight314.41 g/mol
Exact Mass314.13
IUPAC Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethanone
SMILESCc1noc(C)c1CSCC(=O)N1CC(C)OC(CO)C1
InChIInChI=1S/C14H22N2O4S/c1-9-4-16(5-12(6-17)19-9)14(18)8-21-7-13-10(2)15-20-11(13)3/h9,12,17H,4-8H2,1-3H3
InChIKeyWHLJKTBPSNUAAA-UHFFFAOYSA-N
XLogP1.13
TPSA75.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethanone with MolForge

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Related Compounds

2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-1-(4-hydroxy-3-methylpiperidin-1-yl)ethanone
CID 114680018
2-[1-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetyl]azetidin-3-yl]propanoic acid
CID 116681430
1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-methylsulfanylethanone
CID 102934667
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-1-piperidin-1-ylethanone
CID 60623834
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-1-(4-methylpiperazin-1-yl)ethanone
CID 60623823
1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]ethanone
CID 119634816
1-(1,4-diazepan-1-yl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]ethanone;hydrochloride
CID 119414034
1-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetyl]piperidine-4-carboxamide
CID 39951683
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[2-(hydroxymethyl)morpholin-4-yl]propan-1-one
CID 81209406
2-[2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-oxoethyl]sulfanylacetonitrile
CID 102934544
methyl 1-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetyl]piperidine-4-carboxylate
CID 112777806
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetic acid
CID 2106598

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethanone?
The IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethanone (CID 102934323) is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethanone.
What is the SMILES notation for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethanone?
The canonical SMILES for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethanone is Cc1noc(C)c1CSCC(=O)N1CC(C)OC(CO)C1.
What is the InChIKey of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethanone?
The InChIKey is WHLJKTBPSNUAAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4S/c1-9-4-16(5-12(6-17)19-9)14(18)8-21-7-13-10(2)15-20-11(13)3/h9,12,17H,4-8H2,1-3H3.
What are the key properties of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethanone?
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethanone has a molecular weight of 314.41 g/mol, XLogP of 1.13, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethanone is sourced from PubChem (CID 102934323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).