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

C19H28Cl2N4O3 — CID 119882198

IUPAC2-(2-methoxyethylamino)-1-[4-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]ethanone;dihydrochloride
SMILESCOCCNCC(=O)N1CCN(Cc2ncc(-c3ccccc3)o2)CC1.Cl.Cl
InChIInChI=1S/C19H26N4O3.2ClH/c1-25-12-7-20-14-19(24)23-10-8-22(9-11-23)15-18-21-13-17(26-18)16-5-3-2-4-6-16;;/h2-6,13,20H,7-12,14-15H2,1H3;2*1H
InChIKeyCPNFEEMSOQFFDA-UHFFFAOYSA-N
MW431.36 g/mol
LogP2.07
Rot. Bonds8

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

2-(2-methoxyethylamino)-1-[4-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]ethanone;dihydrochloride (PubChem CID 119882198) has the molecular formula C19H28Cl2N4O3 and a molecular weight of 431.36 g/mol. Its IUPAC name is 2-(2-methoxyethylamino)-1-[4-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]ethanone;dihydrochloride.

Molecular Properties

Compound Name2-(2-methoxyethylamino)-1-[4-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]ethanone;dihydrochloride
PubChem CID119882198
Molecular FormulaC19H28Cl2N4O3
Molecular Weight431.36 g/mol
Exact Mass430.15
IUPAC Name2-(2-methoxyethylamino)-1-[4-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]ethanone;dihydrochloride
SMILESCOCCNCC(=O)N1CCN(Cc2ncc(-c3ccccc3)o2)CC1.Cl.Cl
InChIInChI=1S/C19H26N4O3.2ClH/c1-25-12-7-20-14-19(24)23-10-8-22(9-11-23)15-18-21-13-17(26-18)16-5-3-2-4-6-16;;/h2-6,13,20H,7-12,14-15H2,1H3;2*1H
InChIKeyCPNFEEMSOQFFDA-UHFFFAOYSA-N
XLogP2.07
TPSA70.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.36
LogP ≤ 52.07
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

1-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-2-(2-methoxyethylamino)ethanone;dihydrochloride
CID 119877158
1-(4-benzyl-1,4-diazepan-1-yl)-2-(2-methoxyethylamino)ethanone;dihydrochloride
CID 119399445
2-(2-methoxyethylamino)-N-[1-(5-phenyl-1,3-oxazol-2-yl)ethyl]acetamide;hydrochloride
CID 119799043
N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-2-(2-methoxyethylamino)acetamide;dihydrochloride
CID 119872768
N-(3-methoxypropyl)-2-[4-[4-(5-phenyl-1,3-oxazol-2-yl)butanoyl]piperazin-1-yl]acetamide
CID 55685915
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[4-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]ethanone
CID 119882175
2-amino-3-phenyl-1-[4-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]propan-1-one;dihydrochloride
CID 119882152
(3-methyloxetan-3-yl)-[4-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]methanone
CID 127810988
2-[4-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-N-propylacetamide
CID 18088526
2-(2-methoxyethylamino)-1-(4-phenylpiperazin-1-yl)ethanone
CID 54773459
1-[4-[2-[benzyl(methyl)amino]ethyl]piperazin-1-yl]-2-(2-methoxyethylamino)ethanone
CID 119878618
1-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]-2-(2-methoxyethylamino)ethanone
CID 119873868

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethylamino)-1-[4-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]ethanone;dihydrochloride?
The IUPAC name of 2-(2-methoxyethylamino)-1-[4-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]ethanone;dihydrochloride (CID 119882198) is 2-(2-methoxyethylamino)-1-[4-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]ethanone;dihydrochloride.
What is the SMILES notation for 2-(2-methoxyethylamino)-1-[4-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]ethanone;dihydrochloride?
The canonical SMILES for 2-(2-methoxyethylamino)-1-[4-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]ethanone;dihydrochloride is COCCNCC(=O)N1CCN(Cc2ncc(-c3ccccc3)o2)CC1.Cl.Cl.
What is the InChIKey of 2-(2-methoxyethylamino)-1-[4-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]ethanone;dihydrochloride?
The InChIKey is CPNFEEMSOQFFDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3.2ClH/c1-25-12-7-20-14-19(24)23-10-8-22(9-11-23)15-18-21-13-17(26-18)16-5-3-2-4-6-16;;/h2-6,13,20H,7-12,14-15H2,1H3;2*1H.
What are the key properties of 2-(2-methoxyethylamino)-1-[4-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]ethanone;dihydrochloride?
2-(2-methoxyethylamino)-1-[4-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]ethanone;dihydrochloride has a molecular weight of 431.36 g/mol, XLogP of 2.07, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethylamino)-1-[4-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]ethanone;dihydrochloride is sourced from PubChem (CID 119882198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).