6-chloro-2-(5-chloro-1H-pyrazol-3-yl)-1,3-benzoxazole

C₁₀H₅Cl₂N₃O — CID 122185527

About 6-chloro-2-(5-chloro-1H-pyrazol-3-yl)-1,3-benzoxazole

6-chloro-2-(5-chloro-1H-pyrazol-3-yl)-1,3-benzoxazole (PubChem CID 122185527) has the molecular formula C₁₀H₅Cl₂N₃O and a molecular weight of 254.08 g/mol. Its IUPAC name is 6-chloro-2-(5-chloro-1H-pyrazol-3-yl)-1,3-benzoxazole.

Molecular Properties

• Compound Name: 6-chloro-2-(5-chloro-1H-pyrazol-3-yl)-1,3-benzoxazole
• PubChem CID: 122185527
• Molecular Formula: C₁₀H₅Cl₂N₃O
• Molecular Weight: 254.08 g/mol
• Exact Mass: 252.98
• IUPAC Name: 6-chloro-2-(5-chloro-1H-pyrazol-3-yl)-1,3-benzoxazole
• SMILES: Clc1ccc2nc(-c3cc(Cl)[nH]n3)oc2c1
• InChI: InChI=1S/C10H5Cl2N3O/c11-5-1-2-6-8(3-5)16-10(13-6)7-4-9(12)15-14-7/h1-4H,(H,14,15)
• InChIKey: YZTQZDVPRRIYLO-UHFFFAOYSA-N
• XLogP: 3.52
• TPSA: 54.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 1
• Heavy Atoms: 16
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	254.08
LogP ≤ 5	3.52
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(5-chloro-1H-pyrazol-3-yl)-1,3-benzoxazole?

The IUPAC name of 6-chloro-2-(5-chloro-1H-pyrazol-3-yl)-1,3-benzoxazole (CID 122185527) is 6-chloro-2-(5-chloro-1H-pyrazol-3-yl)-1,3-benzoxazole.

What is the SMILES notation for 6-chloro-2-(5-chloro-1H-pyrazol-3-yl)-1,3-benzoxazole?

The canonical SMILES for 6-chloro-2-(5-chloro-1H-pyrazol-3-yl)-1,3-benzoxazole is Clc1ccc2nc(-c3cc(Cl)[nH]n3)oc2c1.

What is the InChIKey of 6-chloro-2-(5-chloro-1H-pyrazol-3-yl)-1,3-benzoxazole?

The InChIKey is YZTQZDVPRRIYLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5Cl2N3O/c11-5-1-2-6-8(3-5)16-10(13-6)7-4-9(12)15-14-7/h1-4H,(H,14,15).

What are the key properties of 6-chloro-2-(5-chloro-1H-pyrazol-3-yl)-1,3-benzoxazole?

6-chloro-2-(5-chloro-1H-pyrazol-3-yl)-1,3-benzoxazole has a molecular weight of 254.08 g/mol, XLogP of 3.52, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-2-(5-chloro-1H-pyrazol-3-yl)-1,3-benzoxazole is sourced from PubChem (CID 122185527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 122185527 — identifiers, structure, computed properties (public domain)

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