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

C23H25N3O4 — CID 5015865

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

2-(5-cyclohexyl-3-naphthalen-2-yl-4,6-dioxo-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-2-yl)acetamide (PubChem CID 5015865) has the molecular formula C23H25N3O4 and a molecular weight of 407.47 g/mol. Its IUPAC name is 2-(5-cyclohexyl-3-naphthalen-2-yl-4,6-dioxo-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-2-yl)acetamide.

Molecular Properties

• Compound Name: 2-(5-cyclohexyl-3-naphthalen-2-yl-4,6-dioxo-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-2-yl)acetamide
• PubChem CID: 5015865
• Molecular Formula: C23H25N3O4
• Molecular Weight: 407.47 g/mol
• Exact Mass: 407.18
• IUPAC Name: 2-(5-cyclohexyl-3-naphthalen-2-yl-4,6-dioxo-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-2-yl)acetamide
• SMILES: NC(=O)CN1OC2C(=O)N(C3CCCCC3)C(=O)C2C1c1ccc2ccccc2c1
• InChI: InChI=1S/C23H25N3O4/c24-18(27)13-25-20(16-11-10-14-6-4-5-7-15(14)12-16)19-21(30-25)23(29)26(22(19)28)17-8-2-1-3-9-17/h4-7,10-12,17,19-21H,1-3,8-9,13H2,(H2,24,27)
• InChIKey: OJWFCMGAJNACNW-UHFFFAOYSA-N
• XLogP: 2.30
• TPSA: 92.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	407.47
LogP ≤ 5	2.30
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 2-(5-cyclohexyl-3-naphthalen-2-yl-4,6-dioxo-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-2-yl)acetamide (CID 5015865) is 2-(5-cyclohexyl-3-naphthalen-2-yl-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-cyclohexyl-3-naphthalen-2-yl-4,6-dioxo-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-2-yl)acetamide?

The canonical SMILES for 2-(5-cyclohexyl-3-naphthalen-2-yl-4,6-dioxo-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-2-yl)acetamide is NC(=O)CN1OC2C(=O)N(C3CCCCC3)C(=O)C2C1c1ccc2ccccc2c1.

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

The InChIKey is OJWFCMGAJNACNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4/c24-18(27)13-25-20(16-11-10-14-6-4-5-7-15(14)12-16)19-21(30-25)23(29)26(22(19)28)17-8-2-1-3-9-17/h4-7,10-12,17,19-21H,1-3,8-9,13H2,(H2,24,27).

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

2-(5-cyclohexyl-3-naphthalen-2-yl-4,6-dioxo-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-2-yl)acetamide has a molecular weight of 407.47 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(5-cyclohexyl-3-naphthalen-2-yl-4,6-dioxo-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-2-yl)acetamide is sourced from PubChem (CID 5015865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).