1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-[(5-methyl-1,2-oxazol-3-yl)amino]ethanone

C18H24N4O2 — CID 109004303

IUPAC1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-[(5-methyl-1,2-oxazol-3-yl)amino]ethanone
SMILESCc1cc(NCC(=O)N2CCN(c3cccc(C)c3C)CC2)no1
InChIInChI=1S/C18H24N4O2/c1-13-5-4-6-16(15(13)3)21-7-9-22(10-8-21)18(23)12-19-17-11-14(2)24-20-17/h4-6,11H,7-10,12H2,1-3H3,(H,19,20)
InChIKeyXWWMBBWXOQYYGX-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.36
Rot. Bonds4

About 1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-[(5-methyl-1,2-oxazol-3-yl)amino]ethanone

1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-[(5-methyl-1,2-oxazol-3-yl)amino]ethanone (PubChem CID 109004303) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-[(5-methyl-1,2-oxazol-3-yl)amino]ethanone.

Molecular Properties

Compound Name1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-[(5-methyl-1,2-oxazol-3-yl)amino]ethanone
PubChem CID109004303
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-[(5-methyl-1,2-oxazol-3-yl)amino]ethanone
SMILESCc1cc(NCC(=O)N2CCN(c3cccc(C)c3C)CC2)no1
InChIInChI=1S/C18H24N4O2/c1-13-5-4-6-16(15(13)3)21-7-9-22(10-8-21)18(23)12-19-17-11-14(2)24-20-17/h4-6,11H,7-10,12H2,1-3H3,(H,19,20)
InChIKeyXWWMBBWXOQYYGX-UHFFFAOYSA-N
XLogP2.36
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-[(5-methyl-1,2-oxazol-3-yl)amino]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(5-methyl-1,2-oxazol-3-yl)amino]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 109004974
2-(tert-butylamino)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone
CID 109004217
N-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]-2,2-dimethylpropanamide
CID 17404196
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]butane-1,3-dione
CID 18073226
2-[(5-methyl-1,2-oxazol-3-yl)amino]-1-piperidin-1-ylethanone
CID 108993555
2-(2,4-dimethoxyanilino)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone
CID 109004267
1-(4-benzylpiperazin-1-yl)-2-[(5-methyl-1,2-oxazol-3-yl)amino]ethanone
CID 109002094
[4-(2,3-dimethylphenyl)piperazin-1-yl]-[4-[(5-methyl-1,2-oxazol-3-yl)amino]-2-pyridinyl]methanone
CID 109216089
1-(4-acetylpiperazin-1-yl)-3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propane-1,3-dione
CID 108944891
2-[(5-methyl-1,2-oxazol-3-yl)amino]-1-morpholin-4-ylethanone
CID 108994230
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-(2-propan-2-ylanilino)ethanone
CID 109004243
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3,3-dimethylbutan-1-one
CID 3283433

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-[(5-methyl-1,2-oxazol-3-yl)amino]ethanone?
The IUPAC name of 1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-[(5-methyl-1,2-oxazol-3-yl)amino]ethanone (CID 109004303) is 1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-[(5-methyl-1,2-oxazol-3-yl)amino]ethanone.
What is the SMILES notation for 1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-[(5-methyl-1,2-oxazol-3-yl)amino]ethanone?
The canonical SMILES for 1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-[(5-methyl-1,2-oxazol-3-yl)amino]ethanone is Cc1cc(NCC(=O)N2CCN(c3cccc(C)c3C)CC2)no1.
What is the InChIKey of 1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-[(5-methyl-1,2-oxazol-3-yl)amino]ethanone?
The InChIKey is XWWMBBWXOQYYGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-13-5-4-6-16(15(13)3)21-7-9-22(10-8-21)18(23)12-19-17-11-14(2)24-20-17/h4-6,11H,7-10,12H2,1-3H3,(H,19,20).
What are the key properties of 1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-[(5-methyl-1,2-oxazol-3-yl)amino]ethanone?
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-[(5-methyl-1,2-oxazol-3-yl)amino]ethanone has a molecular weight of 328.42 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-[(5-methyl-1,2-oxazol-3-yl)amino]ethanone is sourced from PubChem (CID 109004303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).