[(2R)-2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-(6-methoxy-3-pyridinyl)methanone

C21H20FN3O3 — CID 124964152

About [(2R)-2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-(6-methoxy-3-pyridinyl)methanone

[(2R)-2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-(6-methoxy-3-pyridinyl)methanone (PubChem CID 124964152) has the molecular formula C21H20FN3O3 and a molecular weight of 381.41 g/mol. Its IUPAC name is [(2R)-2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-(6-methoxy-3-pyridinyl)methanone.

Molecular Properties

• Compound Name: [(2R)-2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-(6-methoxy-3-pyridinyl)methanone
• PubChem CID: 124964152
• Molecular Formula: C21H20FN3O3
• Molecular Weight: 381.41 g/mol
• Exact Mass: 381.15
• IUPAC Name: [(2R)-2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-(6-methoxy-3-pyridinyl)methanone
• SMILES: COc1ccc(C(=O)N2CCC[C@@H]2c2ncc(Cc3cccc(F)c3)o2)cn1
• InChI: InChI=1S/C21H20FN3O3/c1-27-19-8-7-15(12-23-19)21(26)25-9-3-6-18(25)20-24-13-17(28-20)11-14-4-2-5-16(22)10-14/h2,4-5,7-8,10,12-13,18H,3,6,9,11H2,1H3/t18-/m1/s1
• InChIKey: HVMCSBCWHARIFG-GOSISDBHSA-N
• XLogP: 3.79
• TPSA: 68.46 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	381.41
LogP ≤ 5	3.79
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-(6-methoxy-3-pyridinyl)methanone?

The IUPAC name of [(2R)-2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-(6-methoxy-3-pyridinyl)methanone (CID 124964152) is [(2R)-2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-(6-methoxy-3-pyridinyl)methanone.

What is the SMILES notation for [(2R)-2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-(6-methoxy-3-pyridinyl)methanone?

The canonical SMILES for [(2R)-2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-(6-methoxy-3-pyridinyl)methanone is COc1ccc(C(=O)N2CCC[C@@H]2c2ncc(Cc3cccc(F)c3)o2)cn1.

What is the InChIKey of [(2R)-2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-(6-methoxy-3-pyridinyl)methanone?

The InChIKey is HVMCSBCWHARIFG-GOSISDBHSA-N. The full InChI is InChI=1S/C21H20FN3O3/c1-27-19-8-7-15(12-23-19)21(26)25-9-3-6-18(25)20-24-13-17(28-20)11-14-4-2-5-16(22)10-14/h2,4-5,7-8,10,12-13,18H,3,6,9,11H2,1H3/t18-/m1/s1.

What are the key properties of [(2R)-2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-(6-methoxy-3-pyridinyl)methanone?

[(2R)-2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-(6-methoxy-3-pyridinyl)methanone has a molecular weight of 381.41 g/mol, XLogP of 3.79, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R)-2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-(6-methoxy-3-pyridinyl)methanone is sourced from PubChem (CID 124964152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).