2-[(5-naphthalen-2-ylfuro[2,3-d][1,3]oxazol-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione

C29H15NO4 — CID 168735574

About 2-[(5-naphthalen-2-ylfuro[2,3-d][1,3]oxazol-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione

2-[(5-naphthalen-2-ylfuro[2,3-d][1,3]oxazol-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione (PubChem CID 168735574) has the molecular formula C29H15NO4 and a molecular weight of 441.44 g/mol. Its IUPAC name is 2-[(5-naphthalen-2-ylfuro[2,3-d][1,3]oxazol-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione.

Molecular Properties

• Compound Name: 2-[(5-naphthalen-2-ylfuro[2,3-d][1,3]oxazol-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione
• PubChem CID: 168735574
• Molecular Formula: C29H15NO4
• Molecular Weight: 441.44 g/mol
• Exact Mass: 441.10
• IUPAC Name: 2-[(5-naphthalen-2-ylfuro[2,3-d][1,3]oxazol-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione
• SMILES: O=C1C(=Cc2nc3oc(-c4ccc5ccccc5c4)cc3o2)C(=O)c2cc3ccccc3cc21
• InChI: InChI=1S/C29H15NO4/c31-27-21-12-18-7-3-4-8-19(18)13-22(21)28(32)23(27)14-26-30-29-25(33-26)15-24(34-29)20-10-9-16-5-1-2-6-17(16)11-20/h1-15H
• InChIKey: HJXCWJOKLFGCDD-UHFFFAOYSA-N
• XLogP: 6.86
• TPSA: 73.31 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	441.44
LogP ≤ 5	6.86
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'ene_five_one_A(55)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[(5-naphthalen-2-ylfuro[2,3-d][1,3]oxazol-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione?

The IUPAC name of 2-[(5-naphthalen-2-ylfuro[2,3-d][1,3]oxazol-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione (CID 168735574) is 2-[(5-naphthalen-2-ylfuro[2,3-d][1,3]oxazol-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione.

What is the SMILES notation for 2-[(5-naphthalen-2-ylfuro[2,3-d][1,3]oxazol-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione?

The canonical SMILES for 2-[(5-naphthalen-2-ylfuro[2,3-d][1,3]oxazol-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione is O=C1C(=Cc2nc3oc(-c4ccc5ccccc5c4)cc3o2)C(=O)c2cc3ccccc3cc21.

What is the InChIKey of 2-[(5-naphthalen-2-ylfuro[2,3-d][1,3]oxazol-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione?

The InChIKey is HJXCWJOKLFGCDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H15NO4/c31-27-21-12-18-7-3-4-8-19(18)13-22(21)28(32)23(27)14-26-30-29-25(33-26)15-24(34-29)20-10-9-16-5-1-2-6-17(16)11-20/h1-15H.

What are the key properties of 2-[(5-naphthalen-2-ylfuro[2,3-d][1,3]oxazol-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione?

2-[(5-naphthalen-2-ylfuro[2,3-d][1,3]oxazol-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione has a molecular weight of 441.44 g/mol, XLogP of 6.86, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(5-naphthalen-2-ylfuro[2,3-d][1,3]oxazol-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione is sourced from PubChem (CID 168735574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).