(4-chlorophenyl)-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]methanone

C₁₆H₁₁ClN₂O₂ — CID 154721987

About (4-chlorophenyl)-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]methanone

(4-chlorophenyl)-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]methanone (PubChem CID 154721987) has the molecular formula C₁₆H₁₁ClN₂O₂ and a molecular weight of 298.73 g/mol. Its IUPAC name is (4-chlorophenyl)-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]methanone.

Molecular Properties

• Compound Name: (4-chlorophenyl)-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]methanone
• PubChem CID: 154721987
• Molecular Formula: C₁₆H₁₁ClN₂O₂
• Molecular Weight: 298.73 g/mol
• Exact Mass: 298.05
• IUPAC Name: (4-chlorophenyl)-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]methanone
• SMILES: Cc1ccccc1-c1nc(C(=O)c2ccc(Cl)cc2)no1
• InChI: InChI=1S/C16H11ClN2O2/c1-10-4-2-3-5-13(10)16-18-15(19-21-16)14(20)11-6-8-12(17)9-7-11/h2-9H,1H3
• InChIKey: CWOQNFVFFMPQFG-UHFFFAOYSA-N
• XLogP: 3.93
• TPSA: 55.99 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	298.73
LogP ≤ 5	3.93
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]methanone?

The IUPAC name of (4-chlorophenyl)-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]methanone (CID 154721987) is (4-chlorophenyl)-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]methanone.

What is the SMILES notation for (4-chlorophenyl)-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]methanone?

The canonical SMILES for (4-chlorophenyl)-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]methanone is Cc1ccccc1-c1nc(C(=O)c2ccc(Cl)cc2)no1.

What is the InChIKey of (4-chlorophenyl)-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]methanone?

The InChIKey is CWOQNFVFFMPQFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN2O2/c1-10-4-2-3-5-13(10)16-18-15(19-21-16)14(20)11-6-8-12(17)9-7-11/h2-9H,1H3.

What are the key properties of (4-chlorophenyl)-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]methanone?

(4-chlorophenyl)-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]methanone has a molecular weight of 298.73 g/mol, XLogP of 3.93, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (4-chlorophenyl)-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]methanone is sourced from PubChem (CID 154721987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 154721987 — identifiers, structure, computed properties (public domain)

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