1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-(1,3-oxazol-4-yl)ethanone

C17H21N3O2 — CID 110686297

IUPAC1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-(1,3-oxazol-4-yl)ethanone
SMILESCc1cccc(N2CCN(C(=O)Cc3cocn3)CC2)c1C
InChIInChI=1S/C17H21N3O2/c1-13-4-3-5-16(14(13)2)19-6-8-20(9-7-19)17(21)10-15-11-22-12-18-15/h3-5,11-12H,6-10H2,1-2H3
InChIKeyDOWIYZWLVKZWEF-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.18
Rot. Bonds3

About 1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-(1,3-oxazol-4-yl)ethanone

1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-(1,3-oxazol-4-yl)ethanone (PubChem CID 110686297) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-(1,3-oxazol-4-yl)ethanone.

Molecular Properties

Compound Name1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-(1,3-oxazol-4-yl)ethanone
PubChem CID110686297
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-(1,3-oxazol-4-yl)ethanone
SMILESCc1cccc(N2CCN(C(=O)Cc3cocn3)CC2)c1C
InChIInChI=1S/C17H21N3O2/c1-13-4-3-5-16(14(13)2)19-6-8-20(9-7-19)17(21)10-15-11-22-12-18-15/h3-5,11-12H,6-10H2,1-2H3
InChIKeyDOWIYZWLVKZWEF-UHFFFAOYSA-N
XLogP2.18
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-pyrrol-1-ylethanone
CID 5308589
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]butane-1,3-dione
CID 18073226
2-(2,6-dichlorophenyl)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone
CID 2669186
1-(4-acetylpiperazin-1-yl)-3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propane-1,3-dione
CID 108944891
2-amino-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone;dihydrochloride
CID 119828409
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3,3-dimethylbutan-1-one
CID 3283433
2-(1,3-benzodioxol-5-yloxy)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone
CID 17310271
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethanone
CID 16562777
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-morpholin-4-ylethanone
CID 110688048
2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-1-morpholin-4-ylethanone
CID 1439327
2-(3,4-dihydroxyphenyl)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone
CID 113199055
2-(4-acetylpiperazin-1-yl)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone
CID 108996074

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-(1,3-oxazol-4-yl)ethanone?
The IUPAC name of 1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-(1,3-oxazol-4-yl)ethanone (CID 110686297) is 1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-(1,3-oxazol-4-yl)ethanone.
What is the SMILES notation for 1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-(1,3-oxazol-4-yl)ethanone?
The canonical SMILES for 1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-(1,3-oxazol-4-yl)ethanone is Cc1cccc(N2CCN(C(=O)Cc3cocn3)CC2)c1C.
What is the InChIKey of 1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-(1,3-oxazol-4-yl)ethanone?
The InChIKey is DOWIYZWLVKZWEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-13-4-3-5-16(14(13)2)19-6-8-20(9-7-19)17(21)10-15-11-22-12-18-15/h3-5,11-12H,6-10H2,1-2H3.
What are the key properties of 1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-(1,3-oxazol-4-yl)ethanone?
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-(1,3-oxazol-4-yl)ethanone has a molecular weight of 299.37 g/mol, XLogP of 2.18, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-(1,3-oxazol-4-yl)ethanone is sourced from PubChem (CID 110686297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).