3-amino-1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]butan-1-one;dihydrochloride

C13H24Cl2N4O2 — CID 119399329

IUPAC3-amino-1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]butan-1-one;dihydrochloride
SMILESCc1cc(CN2CCN(C(=O)CC(C)N)CC2)on1.Cl.Cl
InChIInChI=1S/C13H22N4O2.2ClH/c1-10(14)7-13(18)17-5-3-16(4-6-17)9-12-8-11(2)15-19-12;;/h8,10H,3-7,9,14H2,1-2H3;2*1H
InChIKeyGUELRTONZWZWIA-UHFFFAOYSA-N
MW339.27 g/mol
LogP1.21
Rot. Bonds4

About 3-amino-1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]butan-1-one;dihydrochloride

3-amino-1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]butan-1-one;dihydrochloride (PubChem CID 119399329) has the molecular formula C13H24Cl2N4O2 and a molecular weight of 339.27 g/mol. Its IUPAC name is 3-amino-1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]butan-1-one;dihydrochloride.

Molecular Properties

Compound Name3-amino-1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]butan-1-one;dihydrochloride
PubChem CID119399329
Molecular FormulaC13H24Cl2N4O2
Molecular Weight339.27 g/mol
Exact Mass338.13
IUPAC Name3-amino-1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]butan-1-one;dihydrochloride
SMILESCc1cc(CN2CCN(C(=O)CC(C)N)CC2)on1.Cl.Cl
InChIInChI=1S/C13H22N4O2.2ClH/c1-10(14)7-13(18)17-5-3-16(4-6-17)9-12-8-11(2)15-19-12;;/h8,10H,3-7,9,14H2,1-2H3;2*1H
InChIKeyGUELRTONZWZWIA-UHFFFAOYSA-N
XLogP1.21
TPSA75.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.27
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-amino-1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]butan-1-one;dihydrochloride 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-amino-1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]ethanone;dihydrochloride
CID 119399319
(2R)-2-amino-1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]butan-1-one
CID 79024601
N-[4-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-4-oxobutan-2-yl]benzamide
CID 51271176
2-amino-2-methyl-1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]propan-1-one
CID 61264451
2-amino-1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]hexan-1-one
CID 60940039
[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-(4-propan-2-ylphenyl)methanone
CID 46684613
2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone
CID 127883238
2-(2-chlorophenyl)-1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]ethanone
CID 56810432
1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-2-morpholin-2-ylethanone;dihydrochloride
CID 119399314
[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-(4-methylphenyl)methanone
CID 51269605
N-tert-butyl-2-[4-[2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]acetyl]piperazin-1-yl]acetamide
CID 30150936
(5-amino-2-methylphenyl)-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methanone;dihydrochloride
CID 120615794

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]butan-1-one;dihydrochloride?
The IUPAC name of 3-amino-1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]butan-1-one;dihydrochloride (CID 119399329) is 3-amino-1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]butan-1-one;dihydrochloride.
What is the SMILES notation for 3-amino-1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]butan-1-one;dihydrochloride?
The canonical SMILES for 3-amino-1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]butan-1-one;dihydrochloride is Cc1cc(CN2CCN(C(=O)CC(C)N)CC2)on1.Cl.Cl.
What is the InChIKey of 3-amino-1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]butan-1-one;dihydrochloride?
The InChIKey is GUELRTONZWZWIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2.2ClH/c1-10(14)7-13(18)17-5-3-16(4-6-17)9-12-8-11(2)15-19-12;;/h8,10H,3-7,9,14H2,1-2H3;2*1H.
What are the key properties of 3-amino-1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]butan-1-one;dihydrochloride?
3-amino-1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]butan-1-one;dihydrochloride has a molecular weight of 339.27 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]butan-1-one;dihydrochloride is sourced from PubChem (CID 119399329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).