8H-Cycloheptoxazole

C₈H₇NO — CID 165359403

About 8H-Cycloheptoxazole

8H-Cycloheptoxazole (PubChem CID 165359403) has the molecular formula C₈H₇NO and a molecular weight of 133.15 g/mol. Its IUPAC name is 8H-cyclohepta[d][1,3]oxazole.

Molecular Properties

• Compound Name: 8H-Cycloheptoxazole
• PubChem CID: 165359403
• Molecular Formula: C₈H₇NO
• Molecular Weight: 133.15 g/mol
• Exact Mass: 133.05
• IUPAC Name: 8H-cyclohepta[d][1,3]oxazole
• SMILES: C1=CCc2ocnc2C=C1
• InChI: InChI=1S/C8H7NO/c1-2-4-7-8(5-3-1)10-6-9-7/h1-4,6H,5H2
• InChIKey: HBLUDSSDYJSUFS-UHFFFAOYSA-N
• XLogP: 1.80
• TPSA: 26.03 Ų
• H-Bond Acceptors: 2
• Heavy Atoms: 10
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	133.15
LogP ≤ 5	1.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 8H-Cycloheptoxazole?

The IUPAC name of 8H-Cycloheptoxazole (CID 165359403) is 8H-cyclohepta[d][1,3]oxazole.

What is the SMILES notation for 8H-Cycloheptoxazole?

The canonical SMILES for 8H-Cycloheptoxazole is C1=CCc2ocnc2C=C1.

What is the InChIKey of 8H-Cycloheptoxazole?

The InChIKey is HBLUDSSDYJSUFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO/c1-2-4-7-8(5-3-1)10-6-9-7/h1-4,6H,5H2.

What are the key properties of 8H-Cycloheptoxazole?

8H-Cycloheptoxazole has a molecular weight of 133.15 g/mol, XLogP of 1.80, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 8H-Cycloheptoxazole is sourced from PubChem (CID 165359403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 165359403 — identifiers, structure, computed properties (public domain)

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