2-[5-(2-methylphenyl)-3-(6-methyl-2-pyridinyl)-4,6-dioxo-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-2-yl]acetamide

C20H20N4O4 — CID 3458287

About 2-[5-(2-methylphenyl)-3-(6-methyl-2-pyridinyl)-4,6-dioxo-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-2-yl]acetamide

2-[5-(2-methylphenyl)-3-(6-methyl-2-pyridinyl)-4,6-dioxo-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-2-yl]acetamide (PubChem CID 3458287) has the molecular formula C20H20N4O4 and a molecular weight of 380.40 g/mol. Its IUPAC name is 2-[5-(2-methylphenyl)-3-(6-methyl-2-pyridinyl)-4,6-dioxo-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-2-yl]acetamide.

Molecular Properties

• Compound Name: 2-[5-(2-methylphenyl)-3-(6-methyl-2-pyridinyl)-4,6-dioxo-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-2-yl]acetamide
• PubChem CID: 3458287
• Molecular Formula: C20H20N4O4
• Molecular Weight: 380.40 g/mol
• Exact Mass: 380.15
• IUPAC Name: 2-[5-(2-methylphenyl)-3-(6-methyl-2-pyridinyl)-4,6-dioxo-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-2-yl]acetamide
• SMILES: Cc1cccc(C2C3C(=O)N(c4ccccc4C)C(=O)C3ON2CC(N)=O)n1
• InChI: InChI=1S/C20H20N4O4/c1-11-6-3-4-9-14(11)24-19(26)16-17(13-8-5-7-12(2)22-13)23(10-15(21)25)28-18(16)20(24)27/h3-9,16-18H,10H2,1-2H3,(H2,21,25)
• InChIKey: CSSZQMRTEXJJPK-UHFFFAOYSA-N
• XLogP: 1.03
• TPSA: 105.83 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	380.40
LogP ≤ 5	1.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-methylphenyl)-3-(6-methyl-2-pyridinyl)-4,6-dioxo-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-2-yl]acetamide?

The IUPAC name of 2-[5-(2-methylphenyl)-3-(6-methyl-2-pyridinyl)-4,6-dioxo-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-2-yl]acetamide (CID 3458287) is 2-[5-(2-methylphenyl)-3-(6-methyl-2-pyridinyl)-4,6-dioxo-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-2-yl]acetamide.

What is the SMILES notation for 2-[5-(2-methylphenyl)-3-(6-methyl-2-pyridinyl)-4,6-dioxo-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-2-yl]acetamide?

The canonical SMILES for 2-[5-(2-methylphenyl)-3-(6-methyl-2-pyridinyl)-4,6-dioxo-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-2-yl]acetamide is Cc1cccc(C2C3C(=O)N(c4ccccc4C)C(=O)C3ON2CC(N)=O)n1.

What is the InChIKey of 2-[5-(2-methylphenyl)-3-(6-methyl-2-pyridinyl)-4,6-dioxo-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-2-yl]acetamide?

The InChIKey is CSSZQMRTEXJJPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O4/c1-11-6-3-4-9-14(11)24-19(26)16-17(13-8-5-7-12(2)22-13)23(10-15(21)25)28-18(16)20(24)27/h3-9,16-18H,10H2,1-2H3,(H2,21,25).

What are the key properties of 2-[5-(2-methylphenyl)-3-(6-methyl-2-pyridinyl)-4,6-dioxo-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-2-yl]acetamide?

2-[5-(2-methylphenyl)-3-(6-methyl-2-pyridinyl)-4,6-dioxo-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-2-yl]acetamide has a molecular weight of 380.40 g/mol, XLogP of 1.03, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-(2-methylphenyl)-3-(6-methyl-2-pyridinyl)-4,6-dioxo-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-2-yl]acetamide is sourced from PubChem (CID 3458287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).