2-(4-benzyl-2,3-dioxopiperazin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide

C17H18N4O4 — CID 20932177

IUPAC2-(4-benzyl-2,3-dioxopiperazin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)CN2CCN(Cc3ccccc3)C(=O)C2=O)no1
InChIInChI=1S/C17H18N4O4/c1-12-9-14(19-25-12)18-15(22)11-21-8-7-20(16(23)17(21)24)10-13-5-3-2-4-6-13/h2-6,9H,7-8,10-11H2,1H3,(H,18,19,22)
InChIKeyJSLMFLCKEIFSPV-UHFFFAOYSA-N
MW342.36 g/mol
LogP0.79
Rot. Bonds5

About 2-(4-benzyl-2,3-dioxopiperazin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide

2-(4-benzyl-2,3-dioxopiperazin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 20932177) has the molecular formula C17H18N4O4 and a molecular weight of 342.36 g/mol. Its IUPAC name is 2-(4-benzyl-2,3-dioxopiperazin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(4-benzyl-2,3-dioxopiperazin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
PubChem CID20932177
Molecular FormulaC17H18N4O4
Molecular Weight342.36 g/mol
Exact Mass342.13
IUPAC Name2-(4-benzyl-2,3-dioxopiperazin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)CN2CCN(Cc3ccccc3)C(=O)C2=O)no1
InChIInChI=1S/C17H18N4O4/c1-12-9-14(19-25-12)18-15(22)11-21-8-7-20(16(23)17(21)24)10-13-5-3-2-4-6-13/h2-6,9H,7-8,10-11H2,1H3,(H,18,19,22)
InChIKeyJSLMFLCKEIFSPV-UHFFFAOYSA-N
XLogP0.79
TPSA95.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(4-benzylpiperidin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 8904460
2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 30662699
2-(4-benzyl-2,3-dioxopiperazin-1-yl)-N-(3-methylsulfanylphenyl)acetamide
CID 53063644
2-(2-benzylpyrrolidin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 47019562
2-[(2S)-2-benzylpyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 32745635
N-(4-methylphenyl)-2-[4-[(4-methylphenyl)methyl]-2,3-dioxopiperazin-1-yl]acetamide
CID 53063836
N-benzyl-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide
CID 108945355
2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 36855004
N-(3-methylphenyl)-2-[4-[(4-methylphenyl)methyl]-2,3-dioxopiperazin-1-yl]acetamide
CID 53063837
2-(4-benzoylpiperazin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 9223107
2-[4-(1-benzylpiperidine-3-carbonyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 60579845
N-(4-acetamidophenyl)-2-[4-[(3-methylphenyl)methyl]-2,3-dioxopiperazin-1-yl]acetamide
CID 53063997

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzyl-2,3-dioxopiperazin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-(4-benzyl-2,3-dioxopiperazin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 20932177) is 2-(4-benzyl-2,3-dioxopiperazin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-(4-benzyl-2,3-dioxopiperazin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-(4-benzyl-2,3-dioxopiperazin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide is Cc1cc(NC(=O)CN2CCN(Cc3ccccc3)C(=O)C2=O)no1.
What is the InChIKey of 2-(4-benzyl-2,3-dioxopiperazin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is JSLMFLCKEIFSPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O4/c1-12-9-14(19-25-12)18-15(22)11-21-8-7-20(16(23)17(21)24)10-13-5-3-2-4-6-13/h2-6,9H,7-8,10-11H2,1H3,(H,18,19,22).
What are the key properties of 2-(4-benzyl-2,3-dioxopiperazin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
2-(4-benzyl-2,3-dioxopiperazin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 342.36 g/mol, XLogP of 0.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzyl-2,3-dioxopiperazin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 20932177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).