1-[(2R)-2-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-imidazol-1-ylethanone

C20H21FN4O2 — CID 125012704

About 1-[(2R)-2-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-imidazol-1-ylethanone

1-[(2R)-2-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-imidazol-1-ylethanone (PubChem CID 125012704) has the molecular formula C20H21FN4O2 and a molecular weight of 368.41 g/mol. Its IUPAC name is 1-[(2R)-2-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-imidazol-1-ylethanone.

Molecular Properties

• Compound Name: 1-[(2R)-2-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-imidazol-1-ylethanone
• PubChem CID: 125012704
• Molecular Formula: C20H21FN4O2
• Molecular Weight: 368.41 g/mol
• Exact Mass: 368.16
• IUPAC Name: 1-[(2R)-2-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-imidazol-1-ylethanone
• SMILES: O=C(Cn1ccnc1)N1CCCC[C@@H]1c1ncc(Cc2ccccc2F)o1
• InChI: InChI=1S/C20H21FN4O2/c21-17-6-2-1-5-15(17)11-16-12-23-20(27-16)18-7-3-4-9-25(18)19(26)13-24-10-8-22-14-24/h1-2,5-6,8,10,12,14,18H,3-4,7,9,11,13H2/t18-/m1/s1
• InChIKey: VZTDWFIKNPCDNW-GOSISDBHSA-N
• XLogP: 3.35
• TPSA: 64.16 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	368.41
LogP ≤ 5	3.35
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-imidazol-1-ylethanone?

The IUPAC name of 1-[(2R)-2-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-imidazol-1-ylethanone (CID 125012704) is 1-[(2R)-2-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-imidazol-1-ylethanone.

What is the SMILES notation for 1-[(2R)-2-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-imidazol-1-ylethanone?

The canonical SMILES for 1-[(2R)-2-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-imidazol-1-ylethanone is O=C(Cn1ccnc1)N1CCCC[C@@H]1c1ncc(Cc2ccccc2F)o1.

What is the InChIKey of 1-[(2R)-2-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-imidazol-1-ylethanone?

The InChIKey is VZTDWFIKNPCDNW-GOSISDBHSA-N. The full InChI is InChI=1S/C20H21FN4O2/c21-17-6-2-1-5-15(17)11-16-12-23-20(27-16)18-7-3-4-9-25(18)19(26)13-24-10-8-22-14-24/h1-2,5-6,8,10,12,14,18H,3-4,7,9,11,13H2/t18-/m1/s1.

What are the key properties of 1-[(2R)-2-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-imidazol-1-ylethanone?

1-[(2R)-2-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-imidazol-1-ylethanone has a molecular weight of 368.41 g/mol, XLogP of 3.35, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2R)-2-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-imidazol-1-ylethanone is sourced from PubChem (CID 125012704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).