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

C24H19F2N3O3 — CID 110075989

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

[2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methanone (PubChem CID 110075989) has the molecular formula C24H19F2N3O3 and a molecular weight of 435.43 g/mol. Its IUPAC name is [2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methanone.

Molecular Properties

• Compound Name: [2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methanone
• PubChem CID: 110075989
• Molecular Formula: C24H19F2N3O3
• Molecular Weight: 435.43 g/mol
• Exact Mass: 435.14
• IUPAC Name: [2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methanone
• SMILES: O=C(c1cc(-c2ccccc2F)no1)N1CCCC1c1ncc(Cc2cccc(F)c2)o1
• InChI: InChI=1S/C24H19F2N3O3/c25-16-6-3-5-15(11-16)12-17-14-27-23(31-17)21-9-4-10-29(21)24(30)22-13-20(28-32-22)18-7-1-2-8-19(18)26/h1-3,5-8,11,13-14,21H,4,9-10,12H2
• InChIKey: GGKMRIIAWFEWDT-UHFFFAOYSA-N
• XLogP: 5.18
• TPSA: 72.37 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	435.43
LogP ≤ 5	5.18
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of [2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methanone (CID 110075989) is [2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methanone.

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

The canonical SMILES for [2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methanone is O=C(c1cc(-c2ccccc2F)no1)N1CCCC1c1ncc(Cc2cccc(F)c2)o1.

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

The InChIKey is GGKMRIIAWFEWDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F2N3O3/c25-16-6-3-5-15(11-16)12-17-14-27-23(31-17)21-9-4-10-29(21)24(30)22-13-20(28-32-22)18-7-1-2-8-19(18)26/h1-3,5-8,11,13-14,21H,4,9-10,12H2.

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

[2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methanone has a molecular weight of 435.43 g/mol, XLogP of 5.18, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methanone is sourced from PubChem (CID 110075989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).