[2-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(5-ethyl-4-methyl-1H-pyrazol-3-yl)methanone

C22H25ClN4O2 — CID 110120782

About [2-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(5-ethyl-4-methyl-1H-pyrazol-3-yl)methanone

[2-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(5-ethyl-4-methyl-1H-pyrazol-3-yl)methanone (PubChem CID 110120782) has the molecular formula C22H25ClN4O2 and a molecular weight of 412.92 g/mol. Its IUPAC name is [2-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(5-ethyl-4-methyl-1H-pyrazol-3-yl)methanone.

Molecular Properties

• Compound Name: [2-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(5-ethyl-4-methyl-1H-pyrazol-3-yl)methanone
• PubChem CID: 110120782
• Molecular Formula: C22H25ClN4O2
• Molecular Weight: 412.92 g/mol
• Exact Mass: 412.17
• IUPAC Name: [2-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(5-ethyl-4-methyl-1H-pyrazol-3-yl)methanone
• SMILES: CCc1[nH]nc(C(=O)N2CCCCC2c2ncc(Cc3ccccc3Cl)o2)c1C
• InChI: InChI=1S/C22H25ClN4O2/c1-3-18-14(2)20(26-25-18)22(28)27-11-7-6-10-19(27)21-24-13-16(29-21)12-15-8-4-5-9-17(15)23/h4-5,8-9,13,19H,3,6-7,10-12H2,1-2H3,(H,25,26)
• InChIKey: VMPRDYVCIQMSAD-UHFFFAOYSA-N
• XLogP: 4.88
• TPSA: 75.02 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	412.92
LogP ≤ 5	4.88
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of [2-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(5-ethyl-4-methyl-1H-pyrazol-3-yl)methanone?

The IUPAC name of [2-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(5-ethyl-4-methyl-1H-pyrazol-3-yl)methanone (CID 110120782) is [2-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(5-ethyl-4-methyl-1H-pyrazol-3-yl)methanone.

What is the SMILES notation for [2-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(5-ethyl-4-methyl-1H-pyrazol-3-yl)methanone?

The canonical SMILES for [2-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(5-ethyl-4-methyl-1H-pyrazol-3-yl)methanone is CCc1[nH]nc(C(=O)N2CCCCC2c2ncc(Cc3ccccc3Cl)o2)c1C.

What is the InChIKey of [2-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(5-ethyl-4-methyl-1H-pyrazol-3-yl)methanone?

The InChIKey is VMPRDYVCIQMSAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN4O2/c1-3-18-14(2)20(26-25-18)22(28)27-11-7-6-10-19(27)21-24-13-16(29-21)12-15-8-4-5-9-17(15)23/h4-5,8-9,13,19H,3,6-7,10-12H2,1-2H3,(H,25,26).

What are the key properties of [2-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(5-ethyl-4-methyl-1H-pyrazol-3-yl)methanone?

[2-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(5-ethyl-4-methyl-1H-pyrazol-3-yl)methanone has a molecular weight of 412.92 g/mol, XLogP of 4.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(5-ethyl-4-methyl-1H-pyrazol-3-yl)methanone is sourced from PubChem (CID 110120782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).