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

C21H25FN2O2 — CID 125001958

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

cyclohexyl-[(2R)-2-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]methanone (PubChem CID 125001958) has the molecular formula C21H25FN2O2 and a molecular weight of 356.44 g/mol. Its IUPAC name is cyclohexyl-[(2R)-2-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]methanone.

Molecular Properties

• Compound Name: cyclohexyl-[(2R)-2-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]methanone
• PubChem CID: 125001958
• Molecular Formula: C21H25FN2O2
• Molecular Weight: 356.44 g/mol
• Exact Mass: 356.19
• IUPAC Name: cyclohexyl-[(2R)-2-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]methanone
• SMILES: O=C(C1CCCCC1)N1CCC[C@@H]1c1ncc(Cc2ccccc2F)o1
• InChI: InChI=1S/C21H25FN2O2/c22-18-10-5-4-9-16(18)13-17-14-23-20(26-17)19-11-6-12-24(19)21(25)15-7-2-1-3-8-15/h4-5,9-10,14-15,19H,1-3,6-8,11-13H2/t19-/m1/s1
• InChIKey: SGZPGJJSZPQQPA-LJQANCHMSA-N
• XLogP: 4.65
• TPSA: 46.34 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	356.44
LogP ≤ 5	4.65
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of cyclohexyl-[(2R)-2-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]methanone (CID 125001958) is cyclohexyl-[(2R)-2-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]methanone.

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

The canonical SMILES for cyclohexyl-[(2R)-2-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]methanone is O=C(C1CCCCC1)N1CCC[C@@H]1c1ncc(Cc2ccccc2F)o1.

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

The InChIKey is SGZPGJJSZPQQPA-LJQANCHMSA-N. The full InChI is InChI=1S/C21H25FN2O2/c22-18-10-5-4-9-16(18)13-17-14-23-20(26-17)19-11-6-12-24(19)21(25)15-7-2-1-3-8-15/h4-5,9-10,14-15,19H,1-3,6-8,11-13H2/t19-/m1/s1.

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

cyclohexyl-[(2R)-2-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]methanone has a molecular weight of 356.44 g/mol, XLogP of 4.65, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for cyclohexyl-[(2R)-2-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 125001958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).