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

C17H22N4O2 — CID 109002094

IUPAC1-(4-benzylpiperazin-1-yl)-2-[(5-methyl-1,2-oxazol-3-yl)amino]ethanone
SMILESCc1cc(NCC(=O)N2CCN(Cc3ccccc3)CC2)no1
InChIInChI=1S/C17H22N4O2/c1-14-11-16(19-23-14)18-12-17(22)21-9-7-20(8-10-21)13-15-5-3-2-4-6-15/h2-6,11H,7-10,12-13H2,1H3,(H,18,19)
InChIKeyVBLSFNDJYBRXSA-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.74
Rot. Bonds5

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

1-(4-benzylpiperazin-1-yl)-2-[(5-methyl-1,2-oxazol-3-yl)amino]ethanone (PubChem CID 109002094) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 1-(4-benzylpiperazin-1-yl)-2-[(5-methyl-1,2-oxazol-3-yl)amino]ethanone.

Molecular Properties

Compound Name1-(4-benzylpiperazin-1-yl)-2-[(5-methyl-1,2-oxazol-3-yl)amino]ethanone
PubChem CID109002094
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name1-(4-benzylpiperazin-1-yl)-2-[(5-methyl-1,2-oxazol-3-yl)amino]ethanone
SMILESCc1cc(NCC(=O)N2CCN(Cc3ccccc3)CC2)no1
InChIInChI=1S/C17H22N4O2/c1-14-11-16(19-23-14)18-12-17(22)21-9-7-20(8-10-21)13-15-5-3-2-4-6-15/h2-6,11H,7-10,12-13H2,1H3,(H,18,19)
InChIKeyVBLSFNDJYBRXSA-UHFFFAOYSA-N
XLogP1.74
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(4-benzylpiperazin-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-piperidin-1-ylethanone
CID 108993555
2-[(5-methyl-1,2-oxazol-3-yl)amino]-1-morpholin-4-ylethanone
CID 108994230
2-[(5-methyl-1,2-oxazol-3-yl)amino]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 109004974
(4-benzylpiperazin-1-yl)-[6-methyl-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-4-yl]methanone
CID 109331523
1-(4-benzylpiperazin-1-yl)-2-(2,3-dimethylanilino)ethanone
CID 109002020
1-(4-benzylpiperazin-1-yl)-2-[(6-phenylpyridazin-3-yl)amino]ethanone
CID 10894371
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-[(5-methyl-1,2-oxazol-3-yl)amino]ethanone
CID 109004303
1,3-bis(4-benzylpiperazin-1-yl)propane-1,3-dione
CID 13023421
1-(4-benzylpiperazin-1-yl)-2-(3-chloroanilino)ethanone
CID 109002032
2-(4-acetylanilino)-1-(4-benzylpiperazin-1-yl)ethanone
CID 109002057
methyl N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]carbamate
CID 112993880
1-(4-benzylpiperazin-1-yl)-2-(butan-2-ylamino)ethanone
CID 60684325

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzylpiperazin-1-yl)-2-[(5-methyl-1,2-oxazol-3-yl)amino]ethanone?
The IUPAC name of 1-(4-benzylpiperazin-1-yl)-2-[(5-methyl-1,2-oxazol-3-yl)amino]ethanone (CID 109002094) is 1-(4-benzylpiperazin-1-yl)-2-[(5-methyl-1,2-oxazol-3-yl)amino]ethanone.
What is the SMILES notation for 1-(4-benzylpiperazin-1-yl)-2-[(5-methyl-1,2-oxazol-3-yl)amino]ethanone?
The canonical SMILES for 1-(4-benzylpiperazin-1-yl)-2-[(5-methyl-1,2-oxazol-3-yl)amino]ethanone is Cc1cc(NCC(=O)N2CCN(Cc3ccccc3)CC2)no1.
What is the InChIKey of 1-(4-benzylpiperazin-1-yl)-2-[(5-methyl-1,2-oxazol-3-yl)amino]ethanone?
The InChIKey is VBLSFNDJYBRXSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-14-11-16(19-23-14)18-12-17(22)21-9-7-20(8-10-21)13-15-5-3-2-4-6-15/h2-6,11H,7-10,12-13H2,1H3,(H,18,19).
What are the key properties of 1-(4-benzylpiperazin-1-yl)-2-[(5-methyl-1,2-oxazol-3-yl)amino]ethanone?
1-(4-benzylpiperazin-1-yl)-2-[(5-methyl-1,2-oxazol-3-yl)amino]ethanone has a molecular weight of 314.39 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzylpiperazin-1-yl)-2-[(5-methyl-1,2-oxazol-3-yl)amino]ethanone is sourced from PubChem (CID 109002094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).