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

C15H28Cl2N4O3 — CID 119877158

IUPAC1-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-2-(2-methoxyethylamino)ethanone;dihydrochloride
SMILESCOCCNCC(=O)N1CCN(Cc2nc(C)c(C)o2)CC1.Cl.Cl
InChIInChI=1S/C15H26N4O3.2ClH/c1-12-13(2)22-14(17-12)11-18-5-7-19(8-6-18)15(20)10-16-4-9-21-3;;/h16H,4-11H2,1-3H3;2*1H
InChIKeyBSDMMEZPLRYWJN-UHFFFAOYSA-N
MW383.32 g/mol
LogP1.02
Rot. Bonds7

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

1-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-2-(2-methoxyethylamino)ethanone;dihydrochloride (PubChem CID 119877158) has the molecular formula C15H28Cl2N4O3 and a molecular weight of 383.32 g/mol. Its IUPAC name is 1-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-2-(2-methoxyethylamino)ethanone;dihydrochloride.

Molecular Properties

Compound Name1-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-2-(2-methoxyethylamino)ethanone;dihydrochloride
PubChem CID119877158
Molecular FormulaC15H28Cl2N4O3
Molecular Weight383.32 g/mol
Exact Mass382.15
IUPAC Name1-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-2-(2-methoxyethylamino)ethanone;dihydrochloride
SMILESCOCCNCC(=O)N1CCN(Cc2nc(C)c(C)o2)CC1.Cl.Cl
InChIInChI=1S/C15H26N4O3.2ClH/c1-12-13(2)22-14(17-12)11-18-5-7-19(8-6-18)15(20)10-16-4-9-21-3;;/h16H,4-11H2,1-3H3;2*1H
InChIKeyBSDMMEZPLRYWJN-UHFFFAOYSA-N
XLogP1.02
TPSA70.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.32
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(cyclopropylamino)-1-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]propan-1-one
CID 126819950
2-(2-methoxyethylamino)-1-[4-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]ethanone;dihydrochloride
CID 119882198
1-(4-benzyl-1,4-diazepan-1-yl)-2-(2-methoxyethylamino)ethanone;dihydrochloride
CID 119399445
2-(2-methoxyethylamino)-1-[4-(2-methylpropyl)piperazin-1-yl]ethanone;dihydrochloride
CID 119831605
2-(2-methoxyethylamino)-1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanone;dihydrochloride
CID 119894259
N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-2-(2-methoxyethylamino)acetamide;dihydrochloride
CID 119872768
2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-1-morpholin-4-ylethanone
CID 113406065
ethyl 4-[2-(2-methoxyethylamino)acetyl]piperazine-1-carboxylate
CID 71628424
2-amino-1-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-3,3-dimethylbutan-1-one
CID 126782606
2-(2-methoxyethylamino)-1-[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]ethanone
CID 119879956
2-(2-methoxyethylamino)-1-[4-[[4-(trifluoromethyl)phenyl]methyl]-1,4-diazepan-1-yl]ethanone;dihydrochloride
CID 119838229
2-(2-methoxyethylamino)-1-[4-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]ethanone
CID 119880650

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-2-(2-methoxyethylamino)ethanone;dihydrochloride?
The IUPAC name of 1-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-2-(2-methoxyethylamino)ethanone;dihydrochloride (CID 119877158) is 1-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-2-(2-methoxyethylamino)ethanone;dihydrochloride.
What is the SMILES notation for 1-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-2-(2-methoxyethylamino)ethanone;dihydrochloride?
The canonical SMILES for 1-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-2-(2-methoxyethylamino)ethanone;dihydrochloride is COCCNCC(=O)N1CCN(Cc2nc(C)c(C)o2)CC1.Cl.Cl.
What is the InChIKey of 1-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-2-(2-methoxyethylamino)ethanone;dihydrochloride?
The InChIKey is BSDMMEZPLRYWJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O3.2ClH/c1-12-13(2)22-14(17-12)11-18-5-7-19(8-6-18)15(20)10-16-4-9-21-3;;/h16H,4-11H2,1-3H3;2*1H.
What are the key properties of 1-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-2-(2-methoxyethylamino)ethanone;dihydrochloride?
1-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-2-(2-methoxyethylamino)ethanone;dihydrochloride has a molecular weight of 383.32 g/mol, XLogP of 1.02, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-2-(2-methoxyethylamino)ethanone;dihydrochloride is sourced from PubChem (CID 119877158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).