3-[5-(2-ethyl-5-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]phenol

C₁₄H₁₄N₄O₂ — CID 63903282

About 3-[5-(2-ethyl-5-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]phenol

3-[5-(2-ethyl-5-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]phenol (PubChem CID 63903282) has the molecular formula C₁₄H₁₄N₄O₂ and a molecular weight of 270.29 g/mol. Its IUPAC name is 3-[5-(2-ethyl-5-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]phenol.

Molecular Properties

• Compound Name: 3-[5-(2-ethyl-5-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]phenol
• PubChem CID: 63903282
• Molecular Formula: C₁₄H₁₄N₄O₂
• Molecular Weight: 270.29 g/mol
• Exact Mass: 270.11
• IUPAC Name: 3-[5-(2-ethyl-5-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]phenol
• SMILES: CCn1nc(C)cc1-c1nc(-c2cccc(O)c2)no1
• InChI: InChI=1S/C14H14N4O2/c1-3-18-12(7-9(2)16-18)14-15-13(17-20-14)10-5-4-6-11(19)8-10/h4-8,19H,3H2,1-2H3
• InChIKey: BOUNOUDEFAZXAR-UHFFFAOYSA-N
• XLogP: 2.63
• TPSA: 76.97 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	270.29
LogP ≤ 5	2.63
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-ethyl-5-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]phenol?

The IUPAC name of 3-[5-(2-ethyl-5-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]phenol (CID 63903282) is 3-[5-(2-ethyl-5-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]phenol.

What is the SMILES notation for 3-[5-(2-ethyl-5-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]phenol?

The canonical SMILES for 3-[5-(2-ethyl-5-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]phenol is CCn1nc(C)cc1-c1nc(-c2cccc(O)c2)no1.

What is the InChIKey of 3-[5-(2-ethyl-5-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]phenol?

The InChIKey is BOUNOUDEFAZXAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2/c1-3-18-12(7-9(2)16-18)14-15-13(17-20-14)10-5-4-6-11(19)8-10/h4-8,19H,3H2,1-2H3.

What are the key properties of 3-[5-(2-ethyl-5-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]phenol?

3-[5-(2-ethyl-5-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]phenol has a molecular weight of 270.29 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[5-(2-ethyl-5-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]phenol is sourced from PubChem (CID 63903282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 63903282 — identifiers, structure, computed properties (public domain)

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