2-[(3R)-4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide

C16H28N4O3 — CID 95350413

IUPAC2-[(3R)-4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCCOCCN1CCN(CC(=O)Nc2cc(C)on2)C[C@H]1CC
InChIInChI=1S/C16H28N4O3/c1-4-14-11-19(6-7-20(14)8-9-22-5-2)12-16(21)17-15-10-13(3)23-18-15/h10,14H,4-9,11-12H2,1-3H3,(H,17,18,21)/t14-/m1/s1
InChIKeyPLHBSEJTVPUBHL-CQSZACIVSA-N
MW324.43 g/mol
LogP1.35
Rot. Bonds8

About 2-[(3R)-4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide

2-[(3R)-4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 95350413) has the molecular formula C16H28N4O3 and a molecular weight of 324.43 g/mol. Its IUPAC name is 2-[(3R)-4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[(3R)-4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
PubChem CID95350413
Molecular FormulaC16H28N4O3
Molecular Weight324.43 g/mol
Exact Mass324.22
IUPAC Name2-[(3R)-4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCCOCCN1CCN(CC(=O)Nc2cc(C)on2)C[C@H]1CC
InChIInChI=1S/C16H28N4O3/c1-4-14-11-19(6-7-20(14)8-9-22-5-2)12-16(21)17-15-10-13(3)23-18-15/h10,14H,4-9,11-12H2,1-3H3,(H,17,18,21)/t14-/m1/s1
InChIKeyPLHBSEJTVPUBHL-CQSZACIVSA-N
XLogP1.35
TPSA70.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 51.35
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

N-cyclopropyl-2-[(3S)-4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]acetamide
CID 95331862
1-(azetidin-1-yl)-2-[(3S)-4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]ethanone
CID 95331832
ethyl 1-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperidine-3-carboxylate
CID 16554656
N-(2,5-dimethylpyrazol-3-yl)-2-[(3R)-4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]acetamide
CID 124778787
N-(5-methyl-1,2-oxazol-3-yl)-2-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]acetamide
CID 97004525
N-(5-chloro-2-pyridinyl)-2-[(3S)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]acetamide
CID 95333683
2-[3-(2-hydroxyethyl)-4-[(5-methylfuran-2-yl)methyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 70753618
3-[[(3S)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]methyl]-5-methyl-1,2-oxazole
CID 95602502
2-[(3S)-3-aminopyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide;hydrochloride
CID 119933945
N-(5-methyl-1,2-oxazol-3-yl)-2-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]acetamide
CID 56806097
2-[4-(azetidin-3-yl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 66201612
2-(2,6-dimethylmorpholin-4-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 4882751

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-[(3R)-4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 95350413) is 2-[(3R)-4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-[(3R)-4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-[(3R)-4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is CCOCCN1CCN(CC(=O)Nc2cc(C)on2)C[C@H]1CC.
What is the InChIKey of 2-[(3R)-4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is PLHBSEJTVPUBHL-CQSZACIVSA-N. The full InChI is InChI=1S/C16H28N4O3/c1-4-14-11-19(6-7-20(14)8-9-22-5-2)12-16(21)17-15-10-13(3)23-18-15/h10,14H,4-9,11-12H2,1-3H3,(H,17,18,21)/t14-/m1/s1.
What are the key properties of 2-[(3R)-4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
2-[(3R)-4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 324.43 g/mol, XLogP of 1.35, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 95350413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).