[2,2-dimethyl-6-(phenoxymethyl)morpholin-4-yl]-[5-(hydroxymethyl)-1,2-oxazol-3-yl]methanone

C18H22N2O5 — CID 122153629

IUPAC[2,2-dimethyl-6-(phenoxymethyl)morpholin-4-yl]-[5-(hydroxymethyl)-1,2-oxazol-3-yl]methanone
SMILESCC1(C)CN(C(=O)c2cc(CO)on2)CC(COc2ccccc2)O1
InChIInChI=1S/C18H22N2O5/c1-18(2)12-20(17(22)16-8-14(10-21)25-19-16)9-15(24-18)11-23-13-6-4-3-5-7-13/h3-8,15,21H,9-12H2,1-2H3
InChIKeyHADFIAZHIMUZTH-UHFFFAOYSA-N
MW346.38 g/mol
LogP1.87
Rot. Bonds5

About [2,2-dimethyl-6-(phenoxymethyl)morpholin-4-yl]-[5-(hydroxymethyl)-1,2-oxazol-3-yl]methanone

[2,2-dimethyl-6-(phenoxymethyl)morpholin-4-yl]-[5-(hydroxymethyl)-1,2-oxazol-3-yl]methanone (PubChem CID 122153629) has the molecular formula C18H22N2O5 and a molecular weight of 346.38 g/mol. Its IUPAC name is [2,2-dimethyl-6-(phenoxymethyl)morpholin-4-yl]-[5-(hydroxymethyl)-1,2-oxazol-3-yl]methanone.

Molecular Properties

Compound Name[2,2-dimethyl-6-(phenoxymethyl)morpholin-4-yl]-[5-(hydroxymethyl)-1,2-oxazol-3-yl]methanone
PubChem CID122153629
Molecular FormulaC18H22N2O5
Molecular Weight346.38 g/mol
Exact Mass346.15
IUPAC Name[2,2-dimethyl-6-(phenoxymethyl)morpholin-4-yl]-[5-(hydroxymethyl)-1,2-oxazol-3-yl]methanone
SMILESCC1(C)CN(C(=O)c2cc(CO)on2)CC(COc2ccccc2)O1
InChIInChI=1S/C18H22N2O5/c1-18(2)12-20(17(22)16-8-14(10-21)25-19-16)9-15(24-18)11-23-13-6-4-3-5-7-13/h3-8,15,21H,9-12H2,1-2H3
InChIKeyHADFIAZHIMUZTH-UHFFFAOYSA-N
XLogP1.87
TPSA85.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2,2-dimethyl-6-(phenoxymethyl)morpholin-4-yl]-2-(5-methyl-1,2-oxazol-3-yl)ethanone
CID 128989897
[2,2-dimethyl-6-(phenoxymethyl)morpholin-4-yl]-(5-methyl-2H-triazol-4-yl)methanone
CID 128978986
(2,5-dimethyl-1,3-oxazol-4-yl)-[(6R)-2,2-dimethyl-6-(phenoxymethyl)morpholin-4-yl]methanone
CID 129487805
[2,2-dimethyl-6-(phenoxymethyl)morpholin-4-yl]-(2-propan-2-yl-1,2,4-triazol-3-yl)methanone
CID 167817550
1-[(6S)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-2-phenoxyethanone
CID 129485528
3-[2,2-dimethyl-6-(phenoxymethyl)morpholin-4-yl]-2-hydroxy-2-methylpropanoic acid
CID 138032643
5-[[2,2-dimethyl-6-(phenoxymethyl)morpholin-4-yl]methyl]furan-3-carboxylic acid
CID 138032645
[5-(hydroxymethyl)-3-methylfuran-2-yl]-[6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
CID 128989906
2-[6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbonyl]benzoic acid
CID 114776496
[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-(4-phenylpyrimidin-5-yl)methanone
CID 129484526
[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-(2-phenylpyrazol-3-yl)methanone
CID 129484804
[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-phenylmethanone
CID 114781933

Frequently Asked Questions

What is the IUPAC name of [2,2-dimethyl-6-(phenoxymethyl)morpholin-4-yl]-[5-(hydroxymethyl)-1,2-oxazol-3-yl]methanone?
The IUPAC name of [2,2-dimethyl-6-(phenoxymethyl)morpholin-4-yl]-[5-(hydroxymethyl)-1,2-oxazol-3-yl]methanone (CID 122153629) is [2,2-dimethyl-6-(phenoxymethyl)morpholin-4-yl]-[5-(hydroxymethyl)-1,2-oxazol-3-yl]methanone.
What is the SMILES notation for [2,2-dimethyl-6-(phenoxymethyl)morpholin-4-yl]-[5-(hydroxymethyl)-1,2-oxazol-3-yl]methanone?
The canonical SMILES for [2,2-dimethyl-6-(phenoxymethyl)morpholin-4-yl]-[5-(hydroxymethyl)-1,2-oxazol-3-yl]methanone is CC1(C)CN(C(=O)c2cc(CO)on2)CC(COc2ccccc2)O1.
What is the InChIKey of [2,2-dimethyl-6-(phenoxymethyl)morpholin-4-yl]-[5-(hydroxymethyl)-1,2-oxazol-3-yl]methanone?
The InChIKey is HADFIAZHIMUZTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O5/c1-18(2)12-20(17(22)16-8-14(10-21)25-19-16)9-15(24-18)11-23-13-6-4-3-5-7-13/h3-8,15,21H,9-12H2,1-2H3.
What are the key properties of [2,2-dimethyl-6-(phenoxymethyl)morpholin-4-yl]-[5-(hydroxymethyl)-1,2-oxazol-3-yl]methanone?
[2,2-dimethyl-6-(phenoxymethyl)morpholin-4-yl]-[5-(hydroxymethyl)-1,2-oxazol-3-yl]methanone has a molecular weight of 346.38 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2,2-dimethyl-6-(phenoxymethyl)morpholin-4-yl]-[5-(hydroxymethyl)-1,2-oxazol-3-yl]methanone is sourced from PubChem (CID 122153629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).