2-[4-(3,5-dimethylphenyl)-2,3-dioxopyrazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide

C18H18N4O4 — CID 95917582

IUPAC2-[4-(3,5-dimethylphenyl)-2,3-dioxopyrazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(C)cc(-n2ccn(CC(=O)Nc3cc(C)on3)c(=O)c2=O)c1
InChIInChI=1S/C18H18N4O4/c1-11-6-12(2)8-14(7-11)22-5-4-21(17(24)18(22)25)10-16(23)19-15-9-13(3)26-20-15/h4-9H,10H2,1-3H3,(H,19,20,23)
InChIKeyFNJSTMSPURMHSA-UHFFFAOYSA-N
MW354.37 g/mol
LogP1.55
Rot. Bonds4

About 2-[4-(3,5-dimethylphenyl)-2,3-dioxopyrazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide

2-[4-(3,5-dimethylphenyl)-2,3-dioxopyrazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 95917582) has the molecular formula C18H18N4O4 and a molecular weight of 354.37 g/mol. Its IUPAC name is 2-[4-(3,5-dimethylphenyl)-2,3-dioxopyrazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[4-(3,5-dimethylphenyl)-2,3-dioxopyrazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
PubChem CID95917582
Molecular FormulaC18H18N4O4
Molecular Weight354.37 g/mol
Exact Mass354.13
IUPAC Name2-[4-(3,5-dimethylphenyl)-2,3-dioxopyrazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(C)cc(-n2ccn(CC(=O)Nc3cc(C)on3)c(=O)c2=O)c1
InChIInChI=1S/C18H18N4O4/c1-11-6-12(2)8-14(7-11)22-5-4-21(17(24)18(22)25)10-16(23)19-15-9-13(3)26-20-15/h4-9H,10H2,1-3H3,(H,19,20,23)
InChIKeyFNJSTMSPURMHSA-UHFFFAOYSA-N
XLogP1.55
TPSA99.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.37
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-[4-(3,5-dimethylphenyl)-2,3-dioxopyrazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3,5-dimethylphenyl)-2-[4-(3,5-dimethylphenyl)-2,3-dioxopyrazin-1-yl]acetamide
CID 18591694
2-[4-(3,5-dimethylphenyl)-2,3-dioxopyrazin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 18591691
N-(2,4-dimethylphenyl)-2-[4-(3,5-dimethylphenyl)-2,3-dioxopyrazin-1-yl]acetamide
CID 22520414
N-(5-methyl-1,2-oxazol-3-yl)-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide
CID 121064039
2-[(3,5-dimethylphenyl)methylsulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 17425092
2-[4-(3,4-dimethoxyphenyl)-2,3-dioxopyrazin-1-yl]-N-(3,5-dimethylphenyl)acetamide
CID 22520493
N-(5-methyl-1,2-oxazol-3-yl)-2-(2,4,6-trimethylphenyl)sulfanylacetamide
CID 7799430
2-(4-ethyl-6-oxopyrimidin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 121064314
N-(furan-2-yl)-2-[4-(4-methylphenyl)-2,3-dioxopyrazin-1-yl]acetamide
CID 71821580
2-imidazol-1-yl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 17410061
N-(5-methyl-1,2-oxazol-3-yl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 3533504
N-(3,4-dimethylphenyl)-2-(2,3-dioxo-4-phenylpyrazin-1-yl)acetamide
CID 7183401

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,5-dimethylphenyl)-2,3-dioxopyrazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-[4-(3,5-dimethylphenyl)-2,3-dioxopyrazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 95917582) is 2-[4-(3,5-dimethylphenyl)-2,3-dioxopyrazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-[4-(3,5-dimethylphenyl)-2,3-dioxopyrazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-[4-(3,5-dimethylphenyl)-2,3-dioxopyrazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is Cc1cc(C)cc(-n2ccn(CC(=O)Nc3cc(C)on3)c(=O)c2=O)c1.
What is the InChIKey of 2-[4-(3,5-dimethylphenyl)-2,3-dioxopyrazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is FNJSTMSPURMHSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O4/c1-11-6-12(2)8-14(7-11)22-5-4-21(17(24)18(22)25)10-16(23)19-15-9-13(3)26-20-15/h4-9H,10H2,1-3H3,(H,19,20,23).
What are the key properties of 2-[4-(3,5-dimethylphenyl)-2,3-dioxopyrazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
2-[4-(3,5-dimethylphenyl)-2,3-dioxopyrazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 354.37 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,5-dimethylphenyl)-2,3-dioxopyrazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 95917582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).