[(2S)-2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]-4-methoxyiminopyrrolidin-1-yl]-(4-phenylphenyl)methanone;[(2S,4E)-2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]-4-methoxyiminopyrrolidin-1-yl]-(4-phenylphenyl)methanone;[(2S,4Z)-2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]-4-methoxyiminopyrrolidin-1-yl]-(4-phenylphenyl)methanone

C69H75N15O9 — CID 158667215

About [(2S)-2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]-4-methoxyiminopyrrolidin-1-yl]-(4-phenylphenyl)methanone;[(2S,4E)-2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]-4-methoxyiminopyrrolidin-1-yl]-(4-phenylphenyl)methanone;[(2S,4Z)-2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]-4-methoxyiminopyrrolidin-1-yl]-(4-phenylphenyl)methanone

[(2S)-2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]-4-methoxyiminopyrrolidin-1-yl]-(4-phenylphenyl)methanone;[(2S,4E)-2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]-4-methoxyiminopyrrolidin-1-yl]-(4-phenylphenyl)methanone;[(2S,4Z)-2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]-4-methoxyiminopyrrolidin-1-yl]-(4-phenylphenyl)methanone (PubChem CID 158667215) has the molecular formula C69H75N15O9 and a molecular weight of 1258.45 g/mol. Its IUPAC name is [(2S)-2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]-4-methoxyiminopyrrolidin-1-yl]-(4-phenylphenyl)methanone;[(2S,4E)-2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]-4-methoxyiminopyrrolidin-1-yl]-(4-phenylphenyl)methanone;[(2S,4Z)-2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]-4-methoxyiminopyrrolidin-1-yl]-(4-phenylphenyl)methanone.

Molecular Properties

• Compound Name: [(2S)-2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]-4-methoxyiminopyrrolidin-1-yl]-(4-phenylphenyl)methanone;[(2S,4E)-2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]-4-methoxyiminopyrrolidin-1-yl]-(4-phenylphenyl)methanone;[(2S,4Z)-2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]-4-methoxyiminopyrrolidin-1-yl]-(4-phenylphenyl)methanone
• PubChem CID: 158667215
• Molecular Formula: C69H75N15O9
• Molecular Weight: 1258.45 g/mol
• Exact Mass: 1257.59
• IUPAC Name: [(2S)-2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]-4-methoxyiminopyrrolidin-1-yl]-(4-phenylphenyl)methanone;[(2S,4E)-2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]-4-methoxyiminopyrrolidin-1-yl]-(4-phenylphenyl)methanone;[(2S,4Z)-2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]-4-methoxyiminopyrrolidin-1-yl]-(4-phenylphenyl)methanone
• SMILES: CO/N=C1/C[C@@H](c2noc(CN(C)C)n2)N(C(=O)c2ccc(-c3ccccc3)cc2)C1.CO/N=C1\C[C@@H](c2noc(CN(C)C)n2)N(C(=O)c2ccc(-c3ccccc3)cc2)C1.CON=C1C[C@@H](c2noc(CN(C)C)n2)N(C(=O)c2ccc(-c3ccccc3)cc2)C1
• InChI: InChI=1S/3C23H25N5O3/c3*1-27(2)15-21-24-22(26-31-21)20-13-19(25-30-3)14-28(20)23(29)18-11-9-17(10-12-18)16-7-5-4-6-8-16/h3*4-12,20H,13-15H2,1-3H3/b25-19+;25-19-;/t3*20-/m000/s1
• InChIKey: IDMWQMCIOXSZDN-UPCFXGHDSA-N
• XLogP: 10.16
• TPSA: 252.18 Ų
• H-Bond Acceptors: 21
• Rotatable Bonds: 18
• Heavy Atoms: 93
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1258.45
LogP ≤ 5	10.16
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	21

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 [(2S)-2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]-4-methoxyiminopyrrolidin-1-yl]-(4-phenylphenyl)methanone;[(2S,4E)-2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]-4-methoxyiminopyrrolidin-1-yl]-(4-phenylphenyl)methanone;[(2S,4Z)-2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]-4-methoxyiminopyrrolidin-1-yl]-(4-phenylphenyl)methanone?

The IUPAC name of [(2S)-2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]-4-methoxyiminopyrrolidin-1-yl]-(4-phenylphenyl)methanone;[(2S,4E)-2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]-4-methoxyiminopyrrolidin-1-yl]-(4-phenylphenyl)methanone;[(2S,4Z)-2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]-4-methoxyiminopyrrolidin-1-yl]-(4-phenylphenyl)methanone (CID 158667215) is [(2S)-2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]-4-methoxyiminopyrrolidin-1-yl]-(4-phenylphenyl)methanone;[(2S,4E)-2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]-4-methoxyiminopyrrolidin-1-yl]-(4-phenylphenyl)methanone;[(2S,4Z)-2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]-4-methoxyiminopyrrolidin-1-yl]-(4-phenylphenyl)methanone.

What is the SMILES notation for [(2S)-2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]-4-methoxyiminopyrrolidin-1-yl]-(4-phenylphenyl)methanone;[(2S,4E)-2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]-4-methoxyiminopyrrolidin-1-yl]-(4-phenylphenyl)methanone;[(2S,4Z)-2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]-4-methoxyiminopyrrolidin-1-yl]-(4-phenylphenyl)methanone?

The canonical SMILES for [(2S)-2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]-4-methoxyiminopyrrolidin-1-yl]-(4-phenylphenyl)methanone;[(2S,4E)-2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]-4-methoxyiminopyrrolidin-1-yl]-(4-phenylphenyl)methanone;[(2S,4Z)-2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]-4-methoxyiminopyrrolidin-1-yl]-(4-phenylphenyl)methanone is CO/N=C1/C[C@@H](c2noc(CN(C)C)n2)N(C(=O)c2ccc(-c3ccccc3)cc2)C1.CO/N=C1\C[C@@H](c2noc(CN(C)C)n2)N(C(=O)c2ccc(-c3ccccc3)cc2)C1.CON=C1C[C@@H](c2noc(CN(C)C)n2)N(C(=O)c2ccc(-c3ccccc3)cc2)C1.

What is the InChIKey of [(2S)-2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]-4-methoxyiminopyrrolidin-1-yl]-(4-phenylphenyl)methanone;[(2S,4E)-2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]-4-methoxyiminopyrrolidin-1-yl]-(4-phenylphenyl)methanone;[(2S,4Z)-2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]-4-methoxyiminopyrrolidin-1-yl]-(4-phenylphenyl)methanone?

The InChIKey is IDMWQMCIOXSZDN-UPCFXGHDSA-N. The full InChI is InChI=1S/3C23H25N5O3/c3*1-27(2)15-21-24-22(26-31-21)20-13-19(25-30-3)14-28(20)23(29)18-11-9-17(10-12-18)16-7-5-4-6-8-16/h3*4-12,20H,13-15H2,1-3H3/b25-19+;25-19-;/t3*20-/m000/s1.

What are the key properties of [(2S)-2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]-4-methoxyiminopyrrolidin-1-yl]-(4-phenylphenyl)methanone;[(2S,4E)-2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]-4-methoxyiminopyrrolidin-1-yl]-(4-phenylphenyl)methanone;[(2S,4Z)-2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]-4-methoxyiminopyrrolidin-1-yl]-(4-phenylphenyl)methanone?

[(2S)-2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]-4-methoxyiminopyrrolidin-1-yl]-(4-phenylphenyl)methanone;[(2S,4E)-2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]-4-methoxyiminopyrrolidin-1-yl]-(4-phenylphenyl)methanone;[(2S,4Z)-2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]-4-methoxyiminopyrrolidin-1-yl]-(4-phenylphenyl)methanone has a molecular weight of 1258.45 g/mol, XLogP of 10.16, 18 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for [(2S)-2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]-4-methoxyiminopyrrolidin-1-yl]-(4-phenylphenyl)methanone;[(2S,4E)-2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]-4-methoxyiminopyrrolidin-1-yl]-(4-phenylphenyl)methanone;[(2S,4Z)-2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]-4-methoxyiminopyrrolidin-1-yl]-(4-phenylphenyl)methanone is sourced from PubChem (CID 158667215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).