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

C19H24N2O4 — CID 128989897

IUPAC1-[2,2-dimethyl-6-(phenoxymethyl)morpholin-4-yl]-2-(5-methyl-1,2-oxazol-3-yl)ethanone
SMILESCc1cc(CC(=O)N2CC(COc3ccccc3)OC(C)(C)C2)no1
InChIInChI=1S/C19H24N2O4/c1-14-9-15(20-25-14)10-18(22)21-11-17(24-19(2,3)13-21)12-23-16-7-5-4-6-8-16/h4-9,17H,10-13H2,1-3H3
InChIKeyZFDMZXOTIRDSGP-UHFFFAOYSA-N
MW344.41 g/mol
LogP2.61
Rot. Bonds5

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

1-[2,2-dimethyl-6-(phenoxymethyl)morpholin-4-yl]-2-(5-methyl-1,2-oxazol-3-yl)ethanone (PubChem CID 128989897) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is 1-[2,2-dimethyl-6-(phenoxymethyl)morpholin-4-yl]-2-(5-methyl-1,2-oxazol-3-yl)ethanone.

Molecular Properties

Compound Name1-[2,2-dimethyl-6-(phenoxymethyl)morpholin-4-yl]-2-(5-methyl-1,2-oxazol-3-yl)ethanone
PubChem CID128989897
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC Name1-[2,2-dimethyl-6-(phenoxymethyl)morpholin-4-yl]-2-(5-methyl-1,2-oxazol-3-yl)ethanone
SMILESCc1cc(CC(=O)N2CC(COc3ccccc3)OC(C)(C)C2)no1
InChIInChI=1S/C19H24N2O4/c1-14-9-15(20-25-14)10-18(22)21-11-17(24-19(2,3)13-21)12-23-16-7-5-4-6-8-16/h4-9,17H,10-13H2,1-3H3
InChIKeyZFDMZXOTIRDSGP-UHFFFAOYSA-N
XLogP2.61
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2,2-dimethyl-6-(phenoxymethyl)morpholin-4-yl]-[5-(hydroxymethyl)-1,2-oxazol-3-yl]methanone
CID 122153629
1-[(6S)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-2-phenoxyethanone
CID 129485528
[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-(4-ethoxyphenyl)-1-[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]ethanone
CID 129486314
[2,2-dimethyl-6-(phenoxymethyl)morpholin-4-yl]-(2-propan-2-yl-1,2,4-triazol-3-yl)methanone
CID 167817550
3-[2,2-dimethyl-6-(phenoxymethyl)morpholin-4-yl]-2-hydroxy-2-methylpropanoic acid
CID 138032643
4-[[2,2-dimethyl-6-(phenoxymethyl)morpholin-4-yl]methyl]-5-methylthiophene-2-carboxylic acid
CID 136552298
1-[(6S)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-2-quinolin-3-ylethanone
CID 129484445
1-[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-2-quinolin-3-ylethanone
CID 129484446
1-[(6S)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-2-pyridin-3-ylethanone
CID 129485565
1-[6-(bromomethyl)-2,2-dimethylmorpholin-4-yl]-2-phenylethanone
CID 114781637

Frequently Asked Questions

What is the IUPAC name of 1-[2,2-dimethyl-6-(phenoxymethyl)morpholin-4-yl]-2-(5-methyl-1,2-oxazol-3-yl)ethanone?
The IUPAC name of 1-[2,2-dimethyl-6-(phenoxymethyl)morpholin-4-yl]-2-(5-methyl-1,2-oxazol-3-yl)ethanone (CID 128989897) is 1-[2,2-dimethyl-6-(phenoxymethyl)morpholin-4-yl]-2-(5-methyl-1,2-oxazol-3-yl)ethanone.
What is the SMILES notation for 1-[2,2-dimethyl-6-(phenoxymethyl)morpholin-4-yl]-2-(5-methyl-1,2-oxazol-3-yl)ethanone?
The canonical SMILES for 1-[2,2-dimethyl-6-(phenoxymethyl)morpholin-4-yl]-2-(5-methyl-1,2-oxazol-3-yl)ethanone is Cc1cc(CC(=O)N2CC(COc3ccccc3)OC(C)(C)C2)no1.
What is the InChIKey of 1-[2,2-dimethyl-6-(phenoxymethyl)morpholin-4-yl]-2-(5-methyl-1,2-oxazol-3-yl)ethanone?
The InChIKey is ZFDMZXOTIRDSGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4/c1-14-9-15(20-25-14)10-18(22)21-11-17(24-19(2,3)13-21)12-23-16-7-5-4-6-8-16/h4-9,17H,10-13H2,1-3H3.
What are the key properties of 1-[2,2-dimethyl-6-(phenoxymethyl)morpholin-4-yl]-2-(5-methyl-1,2-oxazol-3-yl)ethanone?
1-[2,2-dimethyl-6-(phenoxymethyl)morpholin-4-yl]-2-(5-methyl-1,2-oxazol-3-yl)ethanone has a molecular weight of 344.41 g/mol, XLogP of 2.61, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,2-dimethyl-6-(phenoxymethyl)morpholin-4-yl]-2-(5-methyl-1,2-oxazol-3-yl)ethanone is sourced from PubChem (CID 128989897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).