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

C11H20Cl2N4O2 — CID 119399319

IUPAC2-amino-1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]ethanone;dihydrochloride
SMILESCc1cc(CN2CCN(C(=O)CN)CC2)on1.Cl.Cl
InChIInChI=1S/C11H18N4O2.2ClH/c1-9-6-10(17-13-9)8-14-2-4-15(5-3-14)11(16)7-12;;/h6H,2-5,7-8,12H2,1H3;2*1H
InChIKeyXLXZSRLFROGFCK-UHFFFAOYSA-N
MW311.21 g/mol
LogP0.43
Rot. Bonds3

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

2-amino-1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]ethanone;dihydrochloride (PubChem CID 119399319) has the molecular formula C11H20Cl2N4O2 and a molecular weight of 311.21 g/mol. Its IUPAC name is 2-amino-1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]ethanone;dihydrochloride.

Molecular Properties

Compound Name2-amino-1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]ethanone;dihydrochloride
PubChem CID119399319
Molecular FormulaC11H20Cl2N4O2
Molecular Weight311.21 g/mol
Exact Mass310.10
IUPAC Name2-amino-1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]ethanone;dihydrochloride
SMILESCc1cc(CN2CCN(C(=O)CN)CC2)on1.Cl.Cl
InChIInChI=1S/C11H18N4O2.2ClH/c1-9-6-10(17-13-9)8-14-2-4-15(5-3-14)11(16)7-12;;/h6H,2-5,7-8,12H2,1H3;2*1H
InChIKeyXLXZSRLFROGFCK-UHFFFAOYSA-N
XLogP0.43
TPSA75.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.21
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

3-amino-1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]butan-1-one;dihydrochloride
CID 119399329
2-amino-2-methyl-1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]propan-1-one
CID 61264451
(2R)-2-amino-1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]butan-1-one
CID 79024601
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
[2-(aminomethyl)-1,3-thiazol-4-yl]-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methanone;dihydrochloride
CID 119399321
4-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-propylpiperazine-1-carboxamide
CID 47125438
(1-methylcyclopentyl)-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methanone
CID 134039040

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]ethanone;dihydrochloride?
The IUPAC name of 2-amino-1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]ethanone;dihydrochloride (CID 119399319) is 2-amino-1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]ethanone;dihydrochloride.
What is the SMILES notation for 2-amino-1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]ethanone;dihydrochloride?
The canonical SMILES for 2-amino-1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]ethanone;dihydrochloride is Cc1cc(CN2CCN(C(=O)CN)CC2)on1.Cl.Cl.
What is the InChIKey of 2-amino-1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]ethanone;dihydrochloride?
The InChIKey is XLXZSRLFROGFCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2.2ClH/c1-9-6-10(17-13-9)8-14-2-4-15(5-3-14)11(16)7-12;;/h6H,2-5,7-8,12H2,1H3;2*1H.
What are the key properties of 2-amino-1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]ethanone;dihydrochloride?
2-amino-1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]ethanone;dihydrochloride has a molecular weight of 311.21 g/mol, XLogP of 0.43, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]ethanone;dihydrochloride is sourced from PubChem (CID 119399319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).