4-(1,2-oxazol-4-yl)benzo[de]isoquinoline-1,3-dione

C15H8N2O3 — CID 155490341

IUPAC4-(1,2-oxazol-4-yl)benzo[de]isoquinoline-1,3-dione
SMILESO=C1NC(=O)c2c(-c3cnoc3)ccc3cccc1c23
InChIInChI=1S/C15H8N2O3/c18-14-11-3-1-2-8-4-5-10(9-6-16-20-7-9)13(12(8)11)15(19)17-14/h1-7H,(H,17,18,19)
InChIKeyRLLGQSJWOMLPPB-UHFFFAOYSA-N
MW264.24 g/mol
LogP2.38
Rot. Bonds1

About 4-(1,2-oxazol-4-yl)benzo[de]isoquinoline-1,3-dione

4-(1,2-oxazol-4-yl)benzo[de]isoquinoline-1,3-dione (PubChem CID 155490341) has the molecular formula C15H8N2O3 and a molecular weight of 264.24 g/mol. Its IUPAC name is 4-(1,2-oxazol-4-yl)benzo[de]isoquinoline-1,3-dione.

Molecular Properties

Compound Name4-(1,2-oxazol-4-yl)benzo[de]isoquinoline-1,3-dione
PubChem CID155490341
Molecular FormulaC15H8N2O3
Molecular Weight264.24 g/mol
Exact Mass264.05
IUPAC Name4-(1,2-oxazol-4-yl)benzo[de]isoquinoline-1,3-dione
SMILESO=C1NC(=O)c2c(-c3cnoc3)ccc3cccc1c23
InChIInChI=1S/C15H8N2O3/c18-14-11-3-1-2-8-4-5-10(9-6-16-20-7-9)13(12(8)11)15(19)17-14/h1-7H,(H,17,18,19)
InChIKeyRLLGQSJWOMLPPB-UHFFFAOYSA-N
XLogP2.38
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.24
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(1,2-oxazol-4-yl)benzo[de]isoquinoline-1,3-dione?
The IUPAC name of 4-(1,2-oxazol-4-yl)benzo[de]isoquinoline-1,3-dione (CID 155490341) is 4-(1,2-oxazol-4-yl)benzo[de]isoquinoline-1,3-dione.
What is the SMILES notation for 4-(1,2-oxazol-4-yl)benzo[de]isoquinoline-1,3-dione?
The canonical SMILES for 4-(1,2-oxazol-4-yl)benzo[de]isoquinoline-1,3-dione is O=C1NC(=O)c2c(-c3cnoc3)ccc3cccc1c23.
What is the InChIKey of 4-(1,2-oxazol-4-yl)benzo[de]isoquinoline-1,3-dione?
The InChIKey is RLLGQSJWOMLPPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8N2O3/c18-14-11-3-1-2-8-4-5-10(9-6-16-20-7-9)13(12(8)11)15(19)17-14/h1-7H,(H,17,18,19).
What are the key properties of 4-(1,2-oxazol-4-yl)benzo[de]isoquinoline-1,3-dione?
4-(1,2-oxazol-4-yl)benzo[de]isoquinoline-1,3-dione has a molecular weight of 264.24 g/mol, XLogP of 2.38, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2-oxazol-4-yl)benzo[de]isoquinoline-1,3-dione is sourced from PubChem (CID 155490341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).