Naphthoisoxazole

C₁₁H₇NO — CID 15132611

About Naphthoisoxazole

Naphthoisoxazole (PubChem CID 15132611) has the molecular formula C₁₁H₇NO and a molecular weight of 169.18 g/mol. Its IUPAC name is benzo[e][1,2]benzoxazole.

Molecular Properties

• Compound Name: Naphthoisoxazole
• PubChem CID: 15132611
• Molecular Formula: C₁₁H₇NO
• Molecular Weight: 169.18 g/mol
• Exact Mass: 169.05
• IUPAC Name: benzo[e][1,2]benzoxazole
• SMILES: c1ccc2c(c1)ccc1oncc12
• InChI: InChI=1S/C11H7NO/c1-2-4-9-8(3-1)5-6-11-10(9)7-12-13-11/h1-7H
• InChIKey: KZCMZPDROXCRGA-UHFFFAOYSA-N
• XLogP: 2.98
• TPSA: 26.03 Ų
• H-Bond Acceptors: 2
• Heavy Atoms: 13
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	169.18
LogP ≤ 5	2.98
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of Naphthoisoxazole?

The IUPAC name of Naphthoisoxazole (CID 15132611) is benzo[e][1,2]benzoxazole.

What is the SMILES notation for Naphthoisoxazole?

The canonical SMILES for Naphthoisoxazole is c1ccc2c(c1)ccc1oncc12.

What is the InChIKey of Naphthoisoxazole?

The InChIKey is KZCMZPDROXCRGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7NO/c1-2-4-9-8(3-1)5-6-11-10(9)7-12-13-11/h1-7H.

What are the key properties of Naphthoisoxazole?

Naphthoisoxazole has a molecular weight of 169.18 g/mol, XLogP of 2.98, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for Naphthoisoxazole is sourced from PubChem (CID 15132611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 15132611 — identifiers, structure, computed properties (public domain)

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