3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2,2,6,6-tetramethylmorpholin-4-yl)butan-1-one

C17H28N2O3 — CID 136534661

IUPAC3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2,2,6,6-tetramethylmorpholin-4-yl)butan-1-one
SMILESCc1noc(C)c1C(C)CC(=O)N1CC(C)(C)OC(C)(C)C1
InChIInChI=1S/C17H28N2O3/c1-11(15-12(2)18-21-13(15)3)8-14(20)19-9-16(4,5)22-17(6,7)10-19/h11H,8-10H2,1-7H3
InChIKeyWMNZZBLCDSNEDQ-UHFFFAOYSA-N
MW308.42 g/mol
LogP3.20
Rot. Bonds3

About 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2,2,6,6-tetramethylmorpholin-4-yl)butan-1-one

3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2,2,6,6-tetramethylmorpholin-4-yl)butan-1-one (PubChem CID 136534661) has the molecular formula C17H28N2O3 and a molecular weight of 308.42 g/mol. Its IUPAC name is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2,2,6,6-tetramethylmorpholin-4-yl)butan-1-one.

Molecular Properties

Compound Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2,2,6,6-tetramethylmorpholin-4-yl)butan-1-one
PubChem CID136534661
Molecular FormulaC17H28N2O3
Molecular Weight308.42 g/mol
Exact Mass308.21
IUPAC Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2,2,6,6-tetramethylmorpholin-4-yl)butan-1-one
SMILESCc1noc(C)c1C(C)CC(=O)N1CC(C)(C)OC(C)(C)C1
InChIInChI=1S/C17H28N2O3/c1-11(15-12(2)18-21-13(15)3)8-14(20)19-9-16(4,5)22-17(6,7)10-19/h11H,8-10H2,1-7H3
InChIKeyWMNZZBLCDSNEDQ-UHFFFAOYSA-N
XLogP3.20
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2,2,6,6-tetramethylmorpholin-4-yl)butan-1-one with MolForge

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Related Compounds

3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(4-hydroxybenzoyl)piperazin-1-yl]butan-1-one
CID 136517567
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1-methylcyclohexyl)butanamide
CID 154739445
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1-hydroxy-2-methylpropan-2-yl)butanamide
CID 110000893
3-[1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)butanoyl]piperidin-2-yl]propanoic acid
CID 120536908
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-hydroxy-2,3-dimethylbutyl)butanamide
CID 109379753
1-[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-[(3R)-2,2,5,5-tetramethyloxolan-3-yl]urea
CID 97340875
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-ethyl-2-hydroxybutyl)butanamide
CID 109379728
(3R)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(7-fluoro-2,3-dihydroindol-1-yl)butan-1-one
CID 97241573
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-hydroxypropyl)butanamide
CID 109378471
1-[[3-(3,5-dimethyl-1,2-oxazol-4-yl)butanoylamino]methyl]cyclohexane-1-carboxylic acid
CID 120545063
2-bromo-1-(2,2,6,6-tetramethylmorpholin-4-yl)propan-1-one
CID 107905897
(3R)-1-[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]pyrrolidine-3-carboxylic acid
CID 124690967

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2,2,6,6-tetramethylmorpholin-4-yl)butan-1-one?
The IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2,2,6,6-tetramethylmorpholin-4-yl)butan-1-one (CID 136534661) is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2,2,6,6-tetramethylmorpholin-4-yl)butan-1-one.
What is the SMILES notation for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2,2,6,6-tetramethylmorpholin-4-yl)butan-1-one?
The canonical SMILES for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2,2,6,6-tetramethylmorpholin-4-yl)butan-1-one is Cc1noc(C)c1C(C)CC(=O)N1CC(C)(C)OC(C)(C)C1.
What is the InChIKey of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2,2,6,6-tetramethylmorpholin-4-yl)butan-1-one?
The InChIKey is WMNZZBLCDSNEDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O3/c1-11(15-12(2)18-21-13(15)3)8-14(20)19-9-16(4,5)22-17(6,7)10-19/h11H,8-10H2,1-7H3.
What are the key properties of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2,2,6,6-tetramethylmorpholin-4-yl)butan-1-one?
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2,2,6,6-tetramethylmorpholin-4-yl)butan-1-one has a molecular weight of 308.42 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2,2,6,6-tetramethylmorpholin-4-yl)butan-1-one is sourced from PubChem (CID 136534661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).