2-[(5-phenyl-1,3,4-oxadiazol-2-yl)oxy]-1-(2,2,6-trimethylmorpholin-4-yl)ethanone

C17H21N3O4 — CID 138052248

IUPAC2-[(5-phenyl-1,3,4-oxadiazol-2-yl)oxy]-1-(2,2,6-trimethylmorpholin-4-yl)ethanone
SMILESCC1CN(C(=O)COc2nnc(-c3ccccc3)o2)CC(C)(C)O1
InChIInChI=1S/C17H21N3O4/c1-12-9-20(11-17(2,3)24-12)14(21)10-22-16-19-18-15(23-16)13-7-5-4-6-8-13/h4-8,12H,9-11H2,1-3H3
InChIKeyUFEBMTNXRXSHNY-UHFFFAOYSA-N
MW331.37 g/mol
LogP2.14
Rot. Bonds4

About 2-[(5-phenyl-1,3,4-oxadiazol-2-yl)oxy]-1-(2,2,6-trimethylmorpholin-4-yl)ethanone

2-[(5-phenyl-1,3,4-oxadiazol-2-yl)oxy]-1-(2,2,6-trimethylmorpholin-4-yl)ethanone (PubChem CID 138052248) has the molecular formula C17H21N3O4 and a molecular weight of 331.37 g/mol. Its IUPAC name is 2-[(5-phenyl-1,3,4-oxadiazol-2-yl)oxy]-1-(2,2,6-trimethylmorpholin-4-yl)ethanone.

Molecular Properties

Compound Name2-[(5-phenyl-1,3,4-oxadiazol-2-yl)oxy]-1-(2,2,6-trimethylmorpholin-4-yl)ethanone
PubChem CID138052248
Molecular FormulaC17H21N3O4
Molecular Weight331.37 g/mol
Exact Mass331.15
IUPAC Name2-[(5-phenyl-1,3,4-oxadiazol-2-yl)oxy]-1-(2,2,6-trimethylmorpholin-4-yl)ethanone
SMILESCC1CN(C(=O)COc2nnc(-c3ccccc3)o2)CC(C)(C)O1
InChIInChI=1S/C17H21N3O4/c1-12-9-20(11-17(2,3)24-12)14(21)10-22-16-19-18-15(23-16)13-7-5-4-6-8-13/h4-8,12H,9-11H2,1-3H3
InChIKeyUFEBMTNXRXSHNY-UHFFFAOYSA-N
XLogP2.14
TPSA77.69 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-bromophenoxy)-1-(2,2,6-trimethylmorpholin-4-yl)ethanone
CID 48688350
1-[4-(4-nitrophenyl)piperazin-1-yl]-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)oxy]ethanone
CID 55601779
2-hydroxy-1-(2,2,6-trimethylmorpholin-4-yl)ethanone
CID 131155747
2-[(5-phenyl-1,3,4-oxadiazol-2-yl)oxy]-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone
CID 126767174
1-[(6S)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-2-phenoxyethanone
CID 129485528
1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-(4-phenylphenoxy)ethanone
CID 27233616
3-(1-phenylpyrazol-4-yl)-1-(2,2,6-trimethylmorpholin-4-yl)propan-1-one
CID 48689278
3-[2-oxo-2-(2,2,6-trimethylmorpholin-4-yl)ethyl]pyrido[2,3-d]pyrimidin-4-one
CID 136569526
3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]-1-[(6S)-2,2,6-trimethylmorpholin-4-yl]propan-1-one
CID 52521306
1-(4-iodophenyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)oxy]ethanone
CID 112819046
2-[(4S)-3,4-dihydro-2H-chromen-4-yl]-1-[(6S)-2,2,6-trimethylmorpholin-4-yl]ethanone
CID 97317309
2-[(4S)-3,4-dihydro-2H-chromen-4-yl]-1-[(6R)-2,2,6-trimethylmorpholin-4-yl]ethanone
CID 97317308

Frequently Asked Questions

What is the IUPAC name of 2-[(5-phenyl-1,3,4-oxadiazol-2-yl)oxy]-1-(2,2,6-trimethylmorpholin-4-yl)ethanone?
The IUPAC name of 2-[(5-phenyl-1,3,4-oxadiazol-2-yl)oxy]-1-(2,2,6-trimethylmorpholin-4-yl)ethanone (CID 138052248) is 2-[(5-phenyl-1,3,4-oxadiazol-2-yl)oxy]-1-(2,2,6-trimethylmorpholin-4-yl)ethanone.
What is the SMILES notation for 2-[(5-phenyl-1,3,4-oxadiazol-2-yl)oxy]-1-(2,2,6-trimethylmorpholin-4-yl)ethanone?
The canonical SMILES for 2-[(5-phenyl-1,3,4-oxadiazol-2-yl)oxy]-1-(2,2,6-trimethylmorpholin-4-yl)ethanone is CC1CN(C(=O)COc2nnc(-c3ccccc3)o2)CC(C)(C)O1.
What is the InChIKey of 2-[(5-phenyl-1,3,4-oxadiazol-2-yl)oxy]-1-(2,2,6-trimethylmorpholin-4-yl)ethanone?
The InChIKey is UFEBMTNXRXSHNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4/c1-12-9-20(11-17(2,3)24-12)14(21)10-22-16-19-18-15(23-16)13-7-5-4-6-8-13/h4-8,12H,9-11H2,1-3H3.
What are the key properties of 2-[(5-phenyl-1,3,4-oxadiazol-2-yl)oxy]-1-(2,2,6-trimethylmorpholin-4-yl)ethanone?
2-[(5-phenyl-1,3,4-oxadiazol-2-yl)oxy]-1-(2,2,6-trimethylmorpholin-4-yl)ethanone has a molecular weight of 331.37 g/mol, XLogP of 2.14, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-phenyl-1,3,4-oxadiazol-2-yl)oxy]-1-(2,2,6-trimethylmorpholin-4-yl)ethanone is sourced from PubChem (CID 138052248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).