N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-methyl-4-quinoxalin-2-yl-1,3-oxazole-5-carboxamide

C23H19N5O4 — CID 134397445

About N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-methyl-4-quinoxalin-2-yl-1,3-oxazole-5-carboxamide

N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-methyl-4-quinoxalin-2-yl-1,3-oxazole-5-carboxamide (PubChem CID 134397445) has the molecular formula C23H19N5O4 and a molecular weight of 429.44 g/mol. Its IUPAC name is N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-methyl-4-quinoxalin-2-yl-1,3-oxazole-5-carboxamide.

Molecular Properties

• Compound Name: N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-methyl-4-quinoxalin-2-yl-1,3-oxazole-5-carboxamide
• PubChem CID: 134397445
• Molecular Formula: C23H19N5O4
• Molecular Weight: 429.44 g/mol
• Exact Mass: 429.14
• IUPAC Name: N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-methyl-4-quinoxalin-2-yl-1,3-oxazole-5-carboxamide
• SMILES: Cc1nc(-c2cnc3ccccc3n2)c(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)o1
• InChI: InChI=1S/C23H19N5O4/c1-13-26-19(18-12-25-15-9-5-6-10-16(15)27-18)21(32-13)23(31)28-17(20(29)22(24)30)11-14-7-3-2-4-8-14/h2-10,12,17H,11H2,1H3,(H2,24,30)(H,28,31)
• InChIKey: UAMLDHJUOCSXFZ-UHFFFAOYSA-N
• XLogP: 1.99
• TPSA: 141.07 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	429.44
LogP ≤ 5	1.99
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-methyl-4-quinoxalin-2-yl-1,3-oxazole-5-carboxamide?

The IUPAC name of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-methyl-4-quinoxalin-2-yl-1,3-oxazole-5-carboxamide (CID 134397445) is N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-methyl-4-quinoxalin-2-yl-1,3-oxazole-5-carboxamide.

What is the SMILES notation for N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-methyl-4-quinoxalin-2-yl-1,3-oxazole-5-carboxamide?

The canonical SMILES for N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-methyl-4-quinoxalin-2-yl-1,3-oxazole-5-carboxamide is Cc1nc(-c2cnc3ccccc3n2)c(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)o1.

What is the InChIKey of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-methyl-4-quinoxalin-2-yl-1,3-oxazole-5-carboxamide?

The InChIKey is UAMLDHJUOCSXFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5O4/c1-13-26-19(18-12-25-15-9-5-6-10-16(15)27-18)21(32-13)23(31)28-17(20(29)22(24)30)11-14-7-3-2-4-8-14/h2-10,12,17H,11H2,1H3,(H2,24,30)(H,28,31).

What are the key properties of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-methyl-4-quinoxalin-2-yl-1,3-oxazole-5-carboxamide?

N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-methyl-4-quinoxalin-2-yl-1,3-oxazole-5-carboxamide has a molecular weight of 429.44 g/mol, XLogP of 1.99, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-methyl-4-quinoxalin-2-yl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 134397445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).