(3-fluorophenyl)-[(2S)-2-(5-phenyl-1,3-benzoxazol-2-yl)pyrrolidin-1-yl]methanone

C24H19FN2O2 — CID 93015261

About (3-fluorophenyl)-[(2S)-2-(5-phenyl-1,3-benzoxazol-2-yl)pyrrolidin-1-yl]methanone

(3-fluorophenyl)-[(2S)-2-(5-phenyl-1,3-benzoxazol-2-yl)pyrrolidin-1-yl]methanone (PubChem CID 93015261) has the molecular formula C24H19FN2O2 and a molecular weight of 386.43 g/mol. Its IUPAC name is (3-fluorophenyl)-[(2S)-2-(5-phenyl-1,3-benzoxazol-2-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

• Compound Name: (3-fluorophenyl)-[(2S)-2-(5-phenyl-1,3-benzoxazol-2-yl)pyrrolidin-1-yl]methanone
• PubChem CID: 93015261
• Molecular Formula: C24H19FN2O2
• Molecular Weight: 386.43 g/mol
• Exact Mass: 386.14
• IUPAC Name: (3-fluorophenyl)-[(2S)-2-(5-phenyl-1,3-benzoxazol-2-yl)pyrrolidin-1-yl]methanone
• SMILES: O=C(c1cccc(F)c1)N1CCC[C@H]1c1nc2cc(-c3ccccc3)ccc2o1
• InChI: InChI=1S/C24H19FN2O2/c25-19-9-4-8-18(14-19)24(28)27-13-5-10-21(27)23-26-20-15-17(11-12-22(20)29-23)16-6-2-1-3-7-16/h1-4,6-9,11-12,14-15,21H,5,10,13H2/t21-/m0/s1
• InChIKey: HPUVSBYDHWJJOW-NRFANRHFSA-N
• XLogP: 5.61
• TPSA: 46.34 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	386.43
LogP ≤ 5	5.61
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of (3-fluorophenyl)-[(2S)-2-(5-phenyl-1,3-benzoxazol-2-yl)pyrrolidin-1-yl]methanone (CID 93015261) is (3-fluorophenyl)-[(2S)-2-(5-phenyl-1,3-benzoxazol-2-yl)pyrrolidin-1-yl]methanone.

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

The canonical SMILES for (3-fluorophenyl)-[(2S)-2-(5-phenyl-1,3-benzoxazol-2-yl)pyrrolidin-1-yl]methanone is O=C(c1cccc(F)c1)N1CCC[C@H]1c1nc2cc(-c3ccccc3)ccc2o1.

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

The InChIKey is HPUVSBYDHWJJOW-NRFANRHFSA-N. The full InChI is InChI=1S/C24H19FN2O2/c25-19-9-4-8-18(14-19)24(28)27-13-5-10-21(27)23-26-20-15-17(11-12-22(20)29-23)16-6-2-1-3-7-16/h1-4,6-9,11-12,14-15,21H,5,10,13H2/t21-/m0/s1.

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

(3-fluorophenyl)-[(2S)-2-(5-phenyl-1,3-benzoxazol-2-yl)pyrrolidin-1-yl]methanone has a molecular weight of 386.43 g/mol, XLogP of 5.61, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (3-fluorophenyl)-[(2S)-2-(5-phenyl-1,3-benzoxazol-2-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 93015261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).