cyclohexyl-[(2S)-2-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone

C22H27FN2O2 — CID 125019117

About cyclohexyl-[(2S)-2-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone

cyclohexyl-[(2S)-2-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone (PubChem CID 125019117) has the molecular formula C22H27FN2O2 and a molecular weight of 370.47 g/mol. Its IUPAC name is cyclohexyl-[(2S)-2-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: cyclohexyl-[(2S)-2-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone
• PubChem CID: 125019117
• Molecular Formula: C22H27FN2O2
• Molecular Weight: 370.47 g/mol
• Exact Mass: 370.21
• IUPAC Name: cyclohexyl-[(2S)-2-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone
• SMILES: O=C(C1CCCCC1)N1CCCC[C@H]1c1ncc(Cc2ccccc2F)o1
• InChI: InChI=1S/C22H27FN2O2/c23-19-11-5-4-10-17(19)14-18-15-24-21(27-18)20-12-6-7-13-25(20)22(26)16-8-2-1-3-9-16/h4-5,10-11,15-16,20H,1-3,6-9,12-14H2/t20-/m0/s1
• InChIKey: XTSJDEBSKWSQKP-FQEVSTJZSA-N
• XLogP: 5.04
• TPSA: 46.34 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	370.47
LogP ≤ 5	5.04
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[(2S)-2-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone?

The IUPAC name of cyclohexyl-[(2S)-2-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone (CID 125019117) is cyclohexyl-[(2S)-2-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone.

What is the SMILES notation for cyclohexyl-[(2S)-2-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone?

The canonical SMILES for cyclohexyl-[(2S)-2-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone is O=C(C1CCCCC1)N1CCCC[C@H]1c1ncc(Cc2ccccc2F)o1.

What is the InChIKey of cyclohexyl-[(2S)-2-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone?

The InChIKey is XTSJDEBSKWSQKP-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H27FN2O2/c23-19-11-5-4-10-17(19)14-18-15-24-21(27-18)20-12-6-7-13-25(20)22(26)16-8-2-1-3-9-16/h4-5,10-11,15-16,20H,1-3,6-9,12-14H2/t20-/m0/s1.

What are the key properties of cyclohexyl-[(2S)-2-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone?

cyclohexyl-[(2S)-2-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone has a molecular weight of 370.47 g/mol, XLogP of 5.04, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for cyclohexyl-[(2S)-2-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 125019117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).