1-[(2S,5S)-2,5-dimethylmorpholin-4-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone

C13H20N2O3 — CID 94051203

IUPAC1-[(2S,5S)-2,5-dimethylmorpholin-4-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone
SMILESCc1noc(C)c1CC(=O)N1C[C@H](C)OC[C@@H]1C
InChIInChI=1S/C13H20N2O3/c1-8-7-17-9(2)6-15(8)13(16)5-12-10(3)14-18-11(12)4/h8-9H,5-7H2,1-4H3/t8-,9-/m0/s1
InChIKeyJBTOLWPFVIBKDX-IUCAKERBSA-N
MW252.31 g/mol
LogP1.47
Rot. Bonds2

About 1-[(2S,5S)-2,5-dimethylmorpholin-4-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone

1-[(2S,5S)-2,5-dimethylmorpholin-4-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone (PubChem CID 94051203) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 1-[(2S,5S)-2,5-dimethylmorpholin-4-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone.

Molecular Properties

Compound Name1-[(2S,5S)-2,5-dimethylmorpholin-4-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone
PubChem CID94051203
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name1-[(2S,5S)-2,5-dimethylmorpholin-4-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone
SMILESCc1noc(C)c1CC(=O)N1C[C@H](C)OC[C@@H]1C
InChIInChI=1S/C13H20N2O3/c1-8-7-17-9(2)6-15(8)13(16)5-12-10(3)14-18-11(12)4/h8-9H,5-7H2,1-4H3/t8-,9-/m0/s1
InChIKeyJBTOLWPFVIBKDX-IUCAKERBSA-N
XLogP1.47
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[(2S,5S)-2,5-dimethylmorpholin-4-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone with MolForge

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Related Compounds

1-[(2S,5S)-2,5-dimethylmorpholin-4-yl]-2-methylsulfanylethanone
CID 94053964
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2,3-dimethylpiperazin-1-yl)ethanone
CID 120570202
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2R,3R,5R)-3,5-dimethyl-2-phenylmorpholin-4-yl]ethanone
CID 100891584
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(3-ethylsulfonylazetidin-1-yl)ethanone
CID 121164442
2-[1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]azetidin-3-yl]propanoic acid
CID 116681238
1-[2-(aminomethyl)-3-methylpiperidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone;hydrochloride
CID 119597065
(2S)-1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperidine-2-carboxylic acid
CID 66264676
1-[(2R,5S)-2,5-dimethylmorpholin-4-yl]octan-1-one
CID 98368513
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2R)-2-[(2S)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]ethanone
CID 129430390
[(2S,5S)-2,5-dimethylmorpholin-4-yl]-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone
CID 95124200
1-(4-cyclopropylidenepiperidin-1-yl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone
CID 121184167
2-cyclopentyl-1-[(2S,5S)-2,5-dimethylmorpholin-4-yl]ethanone
CID 95157279

Frequently Asked Questions

What is the IUPAC name of 1-[(2S,5S)-2,5-dimethylmorpholin-4-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone?
The IUPAC name of 1-[(2S,5S)-2,5-dimethylmorpholin-4-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone (CID 94051203) is 1-[(2S,5S)-2,5-dimethylmorpholin-4-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone.
What is the SMILES notation for 1-[(2S,5S)-2,5-dimethylmorpholin-4-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone?
The canonical SMILES for 1-[(2S,5S)-2,5-dimethylmorpholin-4-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone is Cc1noc(C)c1CC(=O)N1C[C@H](C)OC[C@@H]1C.
What is the InChIKey of 1-[(2S,5S)-2,5-dimethylmorpholin-4-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone?
The InChIKey is JBTOLWPFVIBKDX-IUCAKERBSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-8-7-17-9(2)6-15(8)13(16)5-12-10(3)14-18-11(12)4/h8-9H,5-7H2,1-4H3/t8-,9-/m0/s1.
What are the key properties of 1-[(2S,5S)-2,5-dimethylmorpholin-4-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone?
1-[(2S,5S)-2,5-dimethylmorpholin-4-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone has a molecular weight of 252.31 g/mol, XLogP of 1.47, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,5S)-2,5-dimethylmorpholin-4-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone is sourced from PubChem (CID 94051203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).