[(2S)-2-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methanone

C24H19ClFN3O3 — CID 125023702

About [(2S)-2-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methanone

[(2S)-2-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methanone (PubChem CID 125023702) has the molecular formula C24H19ClFN3O3 and a molecular weight of 451.89 g/mol. Its IUPAC name is [(2S)-2-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methanone.

Molecular Properties

• Compound Name: [(2S)-2-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methanone
• PubChem CID: 125023702
• Molecular Formula: C24H19ClFN3O3
• Molecular Weight: 451.89 g/mol
• Exact Mass: 451.11
• IUPAC Name: [(2S)-2-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methanone
• SMILES: O=C(c1cc(-c2ccc(F)cc2)no1)N1CCC[C@H]1c1ncc(Cc2cccc(Cl)c2)o1
• InChI: InChI=1S/C24H19ClFN3O3/c25-17-4-1-3-15(11-17)12-19-14-27-23(31-19)21-5-2-10-29(21)24(30)22-13-20(28-32-22)16-6-8-18(26)9-7-16/h1,3-4,6-9,11,13-14,21H,2,5,10,12H2/t21-/m0/s1
• InChIKey: ZABSIADNHDFCQL-NRFANRHFSA-N
• XLogP: 5.69
• 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	451.89
LogP ≤ 5	5.69
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methanone?

The IUPAC name of [(2S)-2-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methanone (CID 125023702) is [(2S)-2-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methanone.

What is the SMILES notation for [(2S)-2-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methanone?

The canonical SMILES for [(2S)-2-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methanone is O=C(c1cc(-c2ccc(F)cc2)no1)N1CCC[C@H]1c1ncc(Cc2cccc(Cl)c2)o1.

What is the InChIKey of [(2S)-2-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methanone?

The InChIKey is ZABSIADNHDFCQL-NRFANRHFSA-N. The full InChI is InChI=1S/C24H19ClFN3O3/c25-17-4-1-3-15(11-17)12-19-14-27-23(31-19)21-5-2-10-29(21)24(30)22-13-20(28-32-22)16-6-8-18(26)9-7-16/h1,3-4,6-9,11,13-14,21H,2,5,10,12H2/t21-/m0/s1.

What are the key properties of [(2S)-2-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methanone?

[(2S)-2-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methanone has a molecular weight of 451.89 g/mol, XLogP of 5.69, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [(2S)-2-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methanone is sourced from PubChem (CID 125023702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).