(3Z)-3-[(5-phenylfuro[2,3-d][1,3]oxazol-2-yl)methylidene]benzo[g]chromene-2,4-dione

C25H13NO5 — CID 168735929

About (3Z)-3-[(5-phenylfuro[2,3-d][1,3]oxazol-2-yl)methylidene]benzo[g]chromene-2,4-dione

(3Z)-3-[(5-phenylfuro[2,3-d][1,3]oxazol-2-yl)methylidene]benzo[g]chromene-2,4-dione (PubChem CID 168735929) has the molecular formula C25H13NO5 and a molecular weight of 407.38 g/mol. Its IUPAC name is (3Z)-3-[(5-phenylfuro[2,3-d][1,3]oxazol-2-yl)methylidene]benzo[g]chromene-2,4-dione.

Molecular Properties

• Compound Name: (3Z)-3-[(5-phenylfuro[2,3-d][1,3]oxazol-2-yl)methylidene]benzo[g]chromene-2,4-dione
• PubChem CID: 168735929
• Molecular Formula: C25H13NO5
• Molecular Weight: 407.38 g/mol
• Exact Mass: 407.08
• IUPAC Name: (3Z)-3-[(5-phenylfuro[2,3-d][1,3]oxazol-2-yl)methylidene]benzo[g]chromene-2,4-dione
• SMILES: O=C1Oc2cc3ccccc3cc2C(=O)/C1=C/c1nc2oc(-c3ccccc3)cc2o1
• InChI: InChI=1S/C25H13NO5/c27-23-17-10-15-8-4-5-9-16(15)11-20(17)31-25(28)18(23)12-22-26-24-21(29-22)13-19(30-24)14-6-2-1-3-7-14/h1-13H/b18-12-
• InChIKey: WBFINWQJTNGAOH-PDGQHHTCSA-N
• XLogP: 5.43
• TPSA: 82.54 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 2
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	407.38
LogP ≤ 5	5.43
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[(5-phenylfuro[2,3-d][1,3]oxazol-2-yl)methylidene]benzo[g]chromene-2,4-dione?

The IUPAC name of (3Z)-3-[(5-phenylfuro[2,3-d][1,3]oxazol-2-yl)methylidene]benzo[g]chromene-2,4-dione (CID 168735929) is (3Z)-3-[(5-phenylfuro[2,3-d][1,3]oxazol-2-yl)methylidene]benzo[g]chromene-2,4-dione.

What is the SMILES notation for (3Z)-3-[(5-phenylfuro[2,3-d][1,3]oxazol-2-yl)methylidene]benzo[g]chromene-2,4-dione?

The canonical SMILES for (3Z)-3-[(5-phenylfuro[2,3-d][1,3]oxazol-2-yl)methylidene]benzo[g]chromene-2,4-dione is O=C1Oc2cc3ccccc3cc2C(=O)/C1=C/c1nc2oc(-c3ccccc3)cc2o1.

What is the InChIKey of (3Z)-3-[(5-phenylfuro[2,3-d][1,3]oxazol-2-yl)methylidene]benzo[g]chromene-2,4-dione?

The InChIKey is WBFINWQJTNGAOH-PDGQHHTCSA-N. The full InChI is InChI=1S/C25H13NO5/c27-23-17-10-15-8-4-5-9-16(15)11-20(17)31-25(28)18(23)12-22-26-24-21(29-22)13-19(30-24)14-6-2-1-3-7-14/h1-13H/b18-12-.

What are the key properties of (3Z)-3-[(5-phenylfuro[2,3-d][1,3]oxazol-2-yl)methylidene]benzo[g]chromene-2,4-dione?

(3Z)-3-[(5-phenylfuro[2,3-d][1,3]oxazol-2-yl)methylidene]benzo[g]chromene-2,4-dione has a molecular weight of 407.38 g/mol, XLogP of 5.43, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (3Z)-3-[(5-phenylfuro[2,3-d][1,3]oxazol-2-yl)methylidene]benzo[g]chromene-2,4-dione is sourced from PubChem (CID 168735929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).