[(2R)-2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-[3-(1-ethylpyrazol-4-yl)-1,2-oxazol-5-yl]methanone

C24H25N5O3 — CID 124963252

About [(2R)-2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-[3-(1-ethylpyrazol-4-yl)-1,2-oxazol-5-yl]methanone

[(2R)-2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-[3-(1-ethylpyrazol-4-yl)-1,2-oxazol-5-yl]methanone (PubChem CID 124963252) has the molecular formula C24H25N5O3 and a molecular weight of 431.50 g/mol. Its IUPAC name is [(2R)-2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-[3-(1-ethylpyrazol-4-yl)-1,2-oxazol-5-yl]methanone.

Molecular Properties

• Compound Name: [(2R)-2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-[3-(1-ethylpyrazol-4-yl)-1,2-oxazol-5-yl]methanone
• PubChem CID: 124963252
• Molecular Formula: C24H25N5O3
• Molecular Weight: 431.50 g/mol
• Exact Mass: 431.20
• IUPAC Name: [(2R)-2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-[3-(1-ethylpyrazol-4-yl)-1,2-oxazol-5-yl]methanone
• SMILES: CCn1cc(-c2cc(C(=O)N3CCCC[C@@H]3c3ncc(Cc4ccccc4)o3)on2)cn1
• InChI: InChI=1S/C24H25N5O3/c1-2-28-16-18(14-26-28)20-13-22(32-27-20)24(30)29-11-7-6-10-21(29)23-25-15-19(31-23)12-17-8-4-3-5-9-17/h3-5,8-9,13-16,21H,2,6-7,10-12H2,1H3/t21-/m1/s1
• InChIKey: HOSJPWQSIBNPQK-OAQYLSRUSA-N
• XLogP: 4.50
• TPSA: 90.19 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	431.50
LogP ≤ 5	4.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-[3-(1-ethylpyrazol-4-yl)-1,2-oxazol-5-yl]methanone?

The IUPAC name of [(2R)-2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-[3-(1-ethylpyrazol-4-yl)-1,2-oxazol-5-yl]methanone (CID 124963252) is [(2R)-2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-[3-(1-ethylpyrazol-4-yl)-1,2-oxazol-5-yl]methanone.

What is the SMILES notation for [(2R)-2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-[3-(1-ethylpyrazol-4-yl)-1,2-oxazol-5-yl]methanone?

The canonical SMILES for [(2R)-2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-[3-(1-ethylpyrazol-4-yl)-1,2-oxazol-5-yl]methanone is CCn1cc(-c2cc(C(=O)N3CCCC[C@@H]3c3ncc(Cc4ccccc4)o3)on2)cn1.

What is the InChIKey of [(2R)-2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-[3-(1-ethylpyrazol-4-yl)-1,2-oxazol-5-yl]methanone?

The InChIKey is HOSJPWQSIBNPQK-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H25N5O3/c1-2-28-16-18(14-26-28)20-13-22(32-27-20)24(30)29-11-7-6-10-21(29)23-25-15-19(31-23)12-17-8-4-3-5-9-17/h3-5,8-9,13-16,21H,2,6-7,10-12H2,1H3/t21-/m1/s1.

What are the key properties of [(2R)-2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-[3-(1-ethylpyrazol-4-yl)-1,2-oxazol-5-yl]methanone?

[(2R)-2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-[3-(1-ethylpyrazol-4-yl)-1,2-oxazol-5-yl]methanone has a molecular weight of 431.50 g/mol, XLogP of 4.50, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R)-2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-[3-(1-ethylpyrazol-4-yl)-1,2-oxazol-5-yl]methanone is sourced from PubChem (CID 124963252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).