2-(2-methoxyethylamino)-1-[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]ethanone

C17H24N4O3 — CID 119879956

IUPAC2-(2-methoxyethylamino)-1-[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]ethanone
SMILESCOCCNCC(=O)N1CCN(c2nc3cc(C)ccc3o2)CC1
InChIInChI=1S/C17H24N4O3/c1-13-3-4-15-14(11-13)19-17(24-15)21-8-6-20(7-9-21)16(22)12-18-5-10-23-2/h3-4,11,18H,5-10,12H2,1-2H3
InChIKeyLYMWWXXMHJGLLC-UHFFFAOYSA-N
MW332.40 g/mol
LogP1.02
Rot. Bonds6

About 2-(2-methoxyethylamino)-1-[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]ethanone

2-(2-methoxyethylamino)-1-[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]ethanone (PubChem CID 119879956) has the molecular formula C17H24N4O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is 2-(2-methoxyethylamino)-1-[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-methoxyethylamino)-1-[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]ethanone
PubChem CID119879956
Molecular FormulaC17H24N4O3
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC Name2-(2-methoxyethylamino)-1-[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]ethanone
SMILESCOCCNCC(=O)N1CCN(c2nc3cc(C)ccc3o2)CC1
InChIInChI=1S/C17H24N4O3/c1-13-3-4-15-14(11-13)19-17(24-15)21-8-6-20(7-9-21)16(22)12-18-5-10-23-2/h3-4,11,18H,5-10,12H2,1-2H3
InChIKeyLYMWWXXMHJGLLC-UHFFFAOYSA-N
XLogP1.02
TPSA70.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
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

2-(2-methoxyethylamino)-1-(4-phenylpiperazin-1-yl)ethanone
CID 54773459
3-[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]-1-piperazin-1-ylpropan-1-one;dihydrochloride
CID 120982695
2-amino-1-[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]-3-phenylpropan-1-one
CID 119879906
2-(2-methoxyethylamino)-1-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]ethanone
CID 119851720
2-(2-methoxyethylamino)-1-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)ethanone
CID 119884684
1-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-2-(2-methoxyethylamino)ethanone;dihydrochloride
CID 119877158
2-(2-methoxyethylamino)-1-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]ethanone
CID 119887348
2-(2-methoxyethylamino)-1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanone;dihydrochloride
CID 119894259
2-(2-methoxyethylamino)-1-[4-(3-methoxyphenyl)piperazin-1-yl]ethanone;dihydrochloride
CID 119829459
2-(2-methoxyethylamino)-1-[4-(3-methylanilino)piperidin-1-yl]ethanone;dihydrochloride
CID 119892742
(3-amino-2-bicyclo[2.2.1]heptanyl)-[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]methanone;dihydrochloride
CID 119879911
[2-(aminomethyl)-1,3-thiazol-4-yl]-[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]methanone;dihydrochloride
CID 119879941

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethylamino)-1-[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(2-methoxyethylamino)-1-[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]ethanone (CID 119879956) is 2-(2-methoxyethylamino)-1-[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(2-methoxyethylamino)-1-[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(2-methoxyethylamino)-1-[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]ethanone is COCCNCC(=O)N1CCN(c2nc3cc(C)ccc3o2)CC1.
What is the InChIKey of 2-(2-methoxyethylamino)-1-[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]ethanone?
The InChIKey is LYMWWXXMHJGLLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3/c1-13-3-4-15-14(11-13)19-17(24-15)21-8-6-20(7-9-21)16(22)12-18-5-10-23-2/h3-4,11,18H,5-10,12H2,1-2H3.
What are the key properties of 2-(2-methoxyethylamino)-1-[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]ethanone?
2-(2-methoxyethylamino)-1-[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]ethanone has a molecular weight of 332.40 g/mol, XLogP of 1.02, 6 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-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 119879956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).