1-(3,3-dimethylmorpholin-4-yl)-2-(5-phenyl-1,2-oxazol-3-yl)ethanone

C17H20N2O3 — CID 110313080

IUPAC1-(3,3-dimethylmorpholin-4-yl)-2-(5-phenyl-1,2-oxazol-3-yl)ethanone
SMILESCC1(C)COCCN1C(=O)Cc1cc(-c2ccccc2)on1
InChIInChI=1S/C17H20N2O3/c1-17(2)12-21-9-8-19(17)16(20)11-14-10-15(22-18-14)13-6-4-3-5-7-13/h3-7,10H,8-9,11-12H2,1-2H3
InChIKeyFYHXQVVQDAVDLY-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.52
Rot. Bonds3

About 1-(3,3-dimethylmorpholin-4-yl)-2-(5-phenyl-1,2-oxazol-3-yl)ethanone

1-(3,3-dimethylmorpholin-4-yl)-2-(5-phenyl-1,2-oxazol-3-yl)ethanone (PubChem CID 110313080) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is 1-(3,3-dimethylmorpholin-4-yl)-2-(5-phenyl-1,2-oxazol-3-yl)ethanone.

Molecular Properties

Compound Name1-(3,3-dimethylmorpholin-4-yl)-2-(5-phenyl-1,2-oxazol-3-yl)ethanone
PubChem CID110313080
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name1-(3,3-dimethylmorpholin-4-yl)-2-(5-phenyl-1,2-oxazol-3-yl)ethanone
SMILESCC1(C)COCCN1C(=O)Cc1cc(-c2ccccc2)on1
InChIInChI=1S/C17H20N2O3/c1-17(2)12-21-9-8-19(17)16(20)11-14-10-15(22-18-14)13-6-4-3-5-7-13/h3-7,10H,8-9,11-12H2,1-2H3
InChIKeyFYHXQVVQDAVDLY-UHFFFAOYSA-N
XLogP2.52
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-1-(3,3-dimethylmorpholin-4-yl)ethanone
CID 110313081
1-(3,3-dimethylmorpholin-4-yl)-2-(2-phenyl-1,3-thiazol-4-yl)ethanone
CID 110304615
3-amino-1-(3,3-dimethylmorpholin-4-yl)-3-phenylpropan-1-one
CID 61430840
(2S)-2-amino-1-(3,3-dimethylmorpholin-4-yl)-3-phenylpropan-1-one
CID 61430243
N-butan-2-yl-2-(5-phenyl-1,2-oxazol-3-yl)acetamide
CID 16878276
3-(3,4-dichlorophenyl)-1-(3,3-dimethylmorpholin-4-yl)propan-1-one
CID 110304613
ethane;1-(5-phenyl-1,2-oxazol-3-yl)ethanone
CID 145281683
2-[1-(benzenesulfonyl)piperidin-4-yl]-1-(3,3-dimethylmorpholin-4-yl)ethanone
CID 110353774
3-(5-phenyl-1,2-oxazol-3-yl)propanoic acid
CID 53414694
2-(1,3-dimethylbenzimidazol-2-ylidene)-6-(3,3-dimethylmorpholin-4-yl)-3,6-dioxohexanenitrile
CID 47794929
1-(4-acetylpiperazin-1-yl)-2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]ethanone
CID 16878729
2-phenyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]acetamide
CID 16866545

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethylmorpholin-4-yl)-2-(5-phenyl-1,2-oxazol-3-yl)ethanone?
The IUPAC name of 1-(3,3-dimethylmorpholin-4-yl)-2-(5-phenyl-1,2-oxazol-3-yl)ethanone (CID 110313080) is 1-(3,3-dimethylmorpholin-4-yl)-2-(5-phenyl-1,2-oxazol-3-yl)ethanone.
What is the SMILES notation for 1-(3,3-dimethylmorpholin-4-yl)-2-(5-phenyl-1,2-oxazol-3-yl)ethanone?
The canonical SMILES for 1-(3,3-dimethylmorpholin-4-yl)-2-(5-phenyl-1,2-oxazol-3-yl)ethanone is CC1(C)COCCN1C(=O)Cc1cc(-c2ccccc2)on1.
What is the InChIKey of 1-(3,3-dimethylmorpholin-4-yl)-2-(5-phenyl-1,2-oxazol-3-yl)ethanone?
The InChIKey is FYHXQVVQDAVDLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-17(2)12-21-9-8-19(17)16(20)11-14-10-15(22-18-14)13-6-4-3-5-7-13/h3-7,10H,8-9,11-12H2,1-2H3.
What are the key properties of 1-(3,3-dimethylmorpholin-4-yl)-2-(5-phenyl-1,2-oxazol-3-yl)ethanone?
1-(3,3-dimethylmorpholin-4-yl)-2-(5-phenyl-1,2-oxazol-3-yl)ethanone has a molecular weight of 300.36 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethylmorpholin-4-yl)-2-(5-phenyl-1,2-oxazol-3-yl)ethanone is sourced from PubChem (CID 110313080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).