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

C23H19F2N3O2 — CID 155986916

About (7-fluoro-1H-indol-2-yl)-[2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]methanone

(7-fluoro-1H-indol-2-yl)-[2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]methanone (PubChem CID 155986916) has the molecular formula C23H19F2N3O2 and a molecular weight of 407.42 g/mol. Its IUPAC name is (7-fluoro-1H-indol-2-yl)-[2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]methanone.

Molecular Properties

• Compound Name: (7-fluoro-1H-indol-2-yl)-[2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]methanone
• PubChem CID: 155986916
• Molecular Formula: C23H19F2N3O2
• Molecular Weight: 407.42 g/mol
• Exact Mass: 407.14
• IUPAC Name: (7-fluoro-1H-indol-2-yl)-[2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]methanone
• SMILES: O=C(c1cc2cccc(F)c2[nH]1)N1CCCC1c1ncc(Cc2cccc(F)c2)o1
• InChI: InChI=1S/C23H19F2N3O2/c24-16-6-1-4-14(10-16)11-17-13-26-22(30-17)20-8-3-9-28(20)23(29)19-12-15-5-2-7-18(25)21(15)27-19/h1-2,4-7,10,12-13,20,27H,3,8-9,11H2
• InChIKey: OTXOJYSGDMSYBL-UHFFFAOYSA-N
• XLogP: 5.00
• TPSA: 62.13 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	407.42
LogP ≤ 5	5.00
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of (7-fluoro-1H-indol-2-yl)-[2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]methanone?

The IUPAC name of (7-fluoro-1H-indol-2-yl)-[2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]methanone (CID 155986916) is (7-fluoro-1H-indol-2-yl)-[2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]methanone.

What is the SMILES notation for (7-fluoro-1H-indol-2-yl)-[2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]methanone?

The canonical SMILES for (7-fluoro-1H-indol-2-yl)-[2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]methanone is O=C(c1cc2cccc(F)c2[nH]1)N1CCCC1c1ncc(Cc2cccc(F)c2)o1.

What is the InChIKey of (7-fluoro-1H-indol-2-yl)-[2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]methanone?

The InChIKey is OTXOJYSGDMSYBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F2N3O2/c24-16-6-1-4-14(10-16)11-17-13-26-22(30-17)20-8-3-9-28(20)23(29)19-12-15-5-2-7-18(25)21(15)27-19/h1-2,4-7,10,12-13,20,27H,3,8-9,11H2.

What are the key properties of (7-fluoro-1H-indol-2-yl)-[2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]methanone?

(7-fluoro-1H-indol-2-yl)-[2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]methanone has a molecular weight of 407.42 g/mol, XLogP of 5.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (7-fluoro-1H-indol-2-yl)-[2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 155986916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).