6-(methoxymethyl)-2,2-dimethyl-4-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]morpholine

C13H22N2O5S — CID 128975302

IUPAC6-(methoxymethyl)-2,2-dimethyl-4-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]morpholine
SMILESCOCC1CN(S(=O)(=O)Cc2cc(C)on2)CC(C)(C)O1
InChIInChI=1S/C13H22N2O5S/c1-10-5-11(14-20-10)8-21(16,17)15-6-12(7-18-4)19-13(2,3)9-15/h5,12H,6-9H2,1-4H3
InChIKeyPWJUHSSONIAPBQ-UHFFFAOYSA-N
MW318.40 g/mol
LogP0.94
Rot. Bonds5

About 6-(methoxymethyl)-2,2-dimethyl-4-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]morpholine

6-(methoxymethyl)-2,2-dimethyl-4-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]morpholine (PubChem CID 128975302) has the molecular formula C13H22N2O5S and a molecular weight of 318.40 g/mol. Its IUPAC name is 6-(methoxymethyl)-2,2-dimethyl-4-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]morpholine.

Molecular Properties

Compound Name6-(methoxymethyl)-2,2-dimethyl-4-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]morpholine
PubChem CID128975302
Molecular FormulaC13H22N2O5S
Molecular Weight318.40 g/mol
Exact Mass318.12
IUPAC Name6-(methoxymethyl)-2,2-dimethyl-4-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]morpholine
SMILESCOCC1CN(S(=O)(=O)Cc2cc(C)on2)CC(C)(C)O1
InChIInChI=1S/C13H22N2O5S/c1-10-5-11(14-20-10)8-21(16,17)15-6-12(7-18-4)19-13(2,3)9-15/h5,12H,6-9H2,1-4H3
InChIKeyPWJUHSSONIAPBQ-UHFFFAOYSA-N
XLogP0.94
TPSA81.87 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[6,6-dimethyl-4-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]morpholin-2-yl]methanol
CID 114779174
(6R)-4-[(4-fluorophenyl)methylsulfonyl]-6-(methoxymethyl)-2,2-dimethylmorpholine
CID 129484478
4-(2,5-difluorophenyl)sulfonyl-6-(methoxymethyl)-2,2-dimethylmorpholine
CID 128975324
4-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]pyrrolidin-3-amine
CID 103576249
3-[(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)sulfonylmethyl]-5-methyl-1,2-oxazole
CID 66243152
4-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]piperidine-4-carboxylic acid
CID 63123907
[1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]pyrrolidin-3-yl]methanol
CID 62371531
N-[[1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]piperidin-4-yl]methyl]ethanamine
CID 80552473
1-[2,2-dimethyl-6-(phenoxymethyl)morpholin-4-yl]-2-(5-methyl-1,2-oxazol-3-yl)ethanone
CID 128989897
(3,5-dimethylfuran-2-yl)-[6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
CID 128978502
2-[4-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]piperazin-1-yl]ethanol
CID 43501424
[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-(5-methylfuran-2-yl)methanone
CID 129484541

Frequently Asked Questions

What is the IUPAC name of 6-(methoxymethyl)-2,2-dimethyl-4-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]morpholine?
The IUPAC name of 6-(methoxymethyl)-2,2-dimethyl-4-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]morpholine (CID 128975302) is 6-(methoxymethyl)-2,2-dimethyl-4-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]morpholine.
What is the SMILES notation for 6-(methoxymethyl)-2,2-dimethyl-4-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]morpholine?
The canonical SMILES for 6-(methoxymethyl)-2,2-dimethyl-4-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]morpholine is COCC1CN(S(=O)(=O)Cc2cc(C)on2)CC(C)(C)O1.
What is the InChIKey of 6-(methoxymethyl)-2,2-dimethyl-4-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]morpholine?
The InChIKey is PWJUHSSONIAPBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O5S/c1-10-5-11(14-20-10)8-21(16,17)15-6-12(7-18-4)19-13(2,3)9-15/h5,12H,6-9H2,1-4H3.
What are the key properties of 6-(methoxymethyl)-2,2-dimethyl-4-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]morpholine?
6-(methoxymethyl)-2,2-dimethyl-4-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]morpholine has a molecular weight of 318.40 g/mol, XLogP of 0.94, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methoxymethyl)-2,2-dimethyl-4-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]morpholine is sourced from PubChem (CID 128975302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).