2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide

C13H21N3O4 — CID 114779698

IUPAC2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)CN2CC(CO)OC(C)(C)C2)no1
InChIInChI=1S/C13H21N3O4/c1-9-4-11(15-20-9)14-12(18)6-16-5-10(7-17)19-13(2,3)8-16/h4,10,17H,5-8H2,1-3H3,(H,14,15,18)
InChIKeyCKNHHMSODQAQKV-UHFFFAOYSA-N
MW283.33 g/mol
LogP0.39
Rot. Bonds4

About 2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide

2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 114779698) has the molecular formula C13H21N3O4 and a molecular weight of 283.33 g/mol. Its IUPAC name is 2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
PubChem CID114779698
Molecular FormulaC13H21N3O4
Molecular Weight283.33 g/mol
Exact Mass283.15
IUPAC Name2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)CN2CC(CO)OC(C)(C)C2)no1
InChIInChI=1S/C13H21N3O4/c1-9-4-11(15-20-9)14-12(18)6-16-5-10(7-17)19-13(2,3)8-16/h4,10,17H,5-8H2,1-3H3,(H,14,15,18)
InChIKeyCKNHHMSODQAQKV-UHFFFAOYSA-N
XLogP0.39
TPSA87.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2,6-dimethylmorpholin-4-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 4882751
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide;hydrochloride
CID 120776067
N-(3-methyl-1,2-oxazol-5-yl)-2-(2,2,6-trimethylmorpholin-4-yl)acetamide
CID 48633243
2-[(3aS,6aS)-5-(cyclopentanecarbonyl)-3a-(hydroxymethyl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-2-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 166612622
4-methyl-1-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperidine-4-carboxylic acid
CID 63124886
2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-N-(oxan-4-yl)acetamide
CID 114779721
2-[(3S)-3-aminopyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide;hydrochloride
CID 119933945
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide;hydrochloride
CID 120773332
2-[4-(azetidin-3-yl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 66201612
2-[2-(hydroxymethyl)piperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 60684790
2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-1-(5-methylthiophen-2-yl)ethanone
CID 114777465
(2R)-N,2-dimethyl-4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]morpholine-2-carboxamide
CID 92632771

Frequently Asked Questions

What is the IUPAC name of 2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 114779698) is 2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is Cc1cc(NC(=O)CN2CC(CO)OC(C)(C)C2)no1.
What is the InChIKey of 2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is CKNHHMSODQAQKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O4/c1-9-4-11(15-20-9)14-12(18)6-16-5-10(7-17)19-13(2,3)8-16/h4,10,17H,5-8H2,1-3H3,(H,14,15,18).
What are the key properties of 2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 283.33 g/mol, XLogP of 0.39, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 114779698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).