[4-(2,4-difluorophenyl)phenyl]-[(2S)-4-methoxyimino-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone;[4-(2,4-difluorophenyl)phenyl]-[(2S,4E)-4-methoxyimino-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone;[4-(2,4-difluorophenyl)phenyl]-[(2S,4Z)-4-methoxyimino-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone

C63H54F6N12O9 — CID 158987279

About [4-(2,4-difluorophenyl)phenyl]-[(2S)-4-methoxyimino-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone;[4-(2,4-difluorophenyl)phenyl]-[(2S,4E)-4-methoxyimino-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone;[4-(2,4-difluorophenyl)phenyl]-[(2S,4Z)-4-methoxyimino-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone

[4-(2,4-difluorophenyl)phenyl]-[(2S)-4-methoxyimino-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone;[4-(2,4-difluorophenyl)phenyl]-[(2S,4E)-4-methoxyimino-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone;[4-(2,4-difluorophenyl)phenyl]-[(2S,4Z)-4-methoxyimino-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone (PubChem CID 158987279) has the molecular formula C63H54F6N12O9 and a molecular weight of 1237.19 g/mol. Its IUPAC name is [4-(2,4-difluorophenyl)phenyl]-[(2S)-4-methoxyimino-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone;[4-(2,4-difluorophenyl)phenyl]-[(2S,4E)-4-methoxyimino-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone;[4-(2,4-difluorophenyl)phenyl]-[(2S,4Z)-4-methoxyimino-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

• Compound Name: [4-(2,4-difluorophenyl)phenyl]-[(2S)-4-methoxyimino-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone;[4-(2,4-difluorophenyl)phenyl]-[(2S,4E)-4-methoxyimino-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone;[4-(2,4-difluorophenyl)phenyl]-[(2S,4Z)-4-methoxyimino-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
• PubChem CID: 158987279
• Molecular Formula: C63H54F6N12O9
• Molecular Weight: 1237.19 g/mol
• Exact Mass: 1236.40
• IUPAC Name: [4-(2,4-difluorophenyl)phenyl]-[(2S)-4-methoxyimino-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone;[4-(2,4-difluorophenyl)phenyl]-[(2S,4E)-4-methoxyimino-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone;[4-(2,4-difluorophenyl)phenyl]-[(2S,4Z)-4-methoxyimino-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
• SMILES: CO/N=C1/C[C@@H](c2nc(C)no2)N(C(=O)c2ccc(-c3ccc(F)cc3F)cc2)C1.CO/N=C1\C[C@@H](c2nc(C)no2)N(C(=O)c2ccc(-c3ccc(F)cc3F)cc2)C1.CON=C1C[C@@H](c2nc(C)no2)N(C(=O)c2ccc(-c3ccc(F)cc3F)cc2)C1
• InChI: InChI=1S/3C21H18F2N4O3/c3*1-12-24-20(30-25-12)19-10-16(26-29-2)11-27(19)21(28)14-5-3-13(4-6-14)17-8-7-15(22)9-18(17)23/h3*3-9,19H,10-11H2,1-2H3/b26-16+;26-16-;/t3*19-/m000/s1
• InChIKey: JPSLOUWGCOWITD-HFQRZYGWSA-N
• XLogP: 11.74
• TPSA: 242.46 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 12
• Heavy Atoms: 90
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1237.19
LogP ≤ 5	11.74
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [4-(2,4-difluorophenyl)phenyl]-[(2S)-4-methoxyimino-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone;[4-(2,4-difluorophenyl)phenyl]-[(2S,4E)-4-methoxyimino-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone;[4-(2,4-difluorophenyl)phenyl]-[(2S,4Z)-4-methoxyimino-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone?

The IUPAC name of [4-(2,4-difluorophenyl)phenyl]-[(2S)-4-methoxyimino-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone;[4-(2,4-difluorophenyl)phenyl]-[(2S,4E)-4-methoxyimino-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone;[4-(2,4-difluorophenyl)phenyl]-[(2S,4Z)-4-methoxyimino-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone (CID 158987279) is [4-(2,4-difluorophenyl)phenyl]-[(2S)-4-methoxyimino-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone;[4-(2,4-difluorophenyl)phenyl]-[(2S,4E)-4-methoxyimino-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone;[4-(2,4-difluorophenyl)phenyl]-[(2S,4Z)-4-methoxyimino-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone.

What is the SMILES notation for [4-(2,4-difluorophenyl)phenyl]-[(2S)-4-methoxyimino-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone;[4-(2,4-difluorophenyl)phenyl]-[(2S,4E)-4-methoxyimino-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone;[4-(2,4-difluorophenyl)phenyl]-[(2S,4Z)-4-methoxyimino-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone?

The canonical SMILES for [4-(2,4-difluorophenyl)phenyl]-[(2S)-4-methoxyimino-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone;[4-(2,4-difluorophenyl)phenyl]-[(2S,4E)-4-methoxyimino-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone;[4-(2,4-difluorophenyl)phenyl]-[(2S,4Z)-4-methoxyimino-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone is CO/N=C1/C[C@@H](c2nc(C)no2)N(C(=O)c2ccc(-c3ccc(F)cc3F)cc2)C1.CO/N=C1\C[C@@H](c2nc(C)no2)N(C(=O)c2ccc(-c3ccc(F)cc3F)cc2)C1.CON=C1C[C@@H](c2nc(C)no2)N(C(=O)c2ccc(-c3ccc(F)cc3F)cc2)C1.

What is the InChIKey of [4-(2,4-difluorophenyl)phenyl]-[(2S)-4-methoxyimino-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone;[4-(2,4-difluorophenyl)phenyl]-[(2S,4E)-4-methoxyimino-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone;[4-(2,4-difluorophenyl)phenyl]-[(2S,4Z)-4-methoxyimino-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone?

The InChIKey is JPSLOUWGCOWITD-HFQRZYGWSA-N. The full InChI is InChI=1S/3C21H18F2N4O3/c3*1-12-24-20(30-25-12)19-10-16(26-29-2)11-27(19)21(28)14-5-3-13(4-6-14)17-8-7-15(22)9-18(17)23/h3*3-9,19H,10-11H2,1-2H3/b26-16+;26-16-;/t3*19-/m000/s1.

What are the key properties of [4-(2,4-difluorophenyl)phenyl]-[(2S)-4-methoxyimino-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone;[4-(2,4-difluorophenyl)phenyl]-[(2S,4E)-4-methoxyimino-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone;[4-(2,4-difluorophenyl)phenyl]-[(2S,4Z)-4-methoxyimino-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone?

[4-(2,4-difluorophenyl)phenyl]-[(2S)-4-methoxyimino-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone;[4-(2,4-difluorophenyl)phenyl]-[(2S,4E)-4-methoxyimino-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone;[4-(2,4-difluorophenyl)phenyl]-[(2S,4Z)-4-methoxyimino-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone has a molecular weight of 1237.19 g/mol, XLogP of 11.74, 12 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for [4-(2,4-difluorophenyl)phenyl]-[(2S)-4-methoxyimino-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone;[4-(2,4-difluorophenyl)phenyl]-[(2S,4E)-4-methoxyimino-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone;[4-(2,4-difluorophenyl)phenyl]-[(2S,4Z)-4-methoxyimino-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 158987279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).