(2Z)-N-cyclopropyl-2-methoxyimino-2-phenyl-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]acetamide

C22H19F3N4O3 — CID 137366718

About (2Z)-N-cyclopropyl-2-methoxyimino-2-phenyl-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]acetamide

(2Z)-N-cyclopropyl-2-methoxyimino-2-phenyl-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]acetamide (PubChem CID 137366718) has the molecular formula C22H19F3N4O3 and a molecular weight of 444.41 g/mol. Its IUPAC name is (2Z)-N-cyclopropyl-2-methoxyimino-2-phenyl-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]acetamide.

Molecular Properties

• Compound Name: (2Z)-N-cyclopropyl-2-methoxyimino-2-phenyl-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]acetamide
• PubChem CID: 137366718
• Molecular Formula: C22H19F3N4O3
• Molecular Weight: 444.41 g/mol
• Exact Mass: 444.14
• IUPAC Name: (2Z)-N-cyclopropyl-2-methoxyimino-2-phenyl-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]acetamide
• SMILES: CO/N=C(\C(=O)N(Cc1ccc(-c2noc(C(F)(F)F)n2)cc1)C1CC1)c1ccccc1
• InChI: InChI=1S/C22H19F3N4O3/c1-31-27-18(15-5-3-2-4-6-15)20(30)29(17-11-12-17)13-14-7-9-16(10-8-14)19-26-21(32-28-19)22(23,24)25/h2-10,17H,11-13H2,1H3/b27-18-
• InChIKey: FMQNFUJZYVHYEW-IMRQLAEWSA-N
• XLogP: 4.30
• TPSA: 80.82 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	444.41
LogP ≤ 5	4.30
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

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 (2Z)-N-cyclopropyl-2-methoxyimino-2-phenyl-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]acetamide?

The IUPAC name of (2Z)-N-cyclopropyl-2-methoxyimino-2-phenyl-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]acetamide (CID 137366718) is (2Z)-N-cyclopropyl-2-methoxyimino-2-phenyl-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]acetamide.

What is the SMILES notation for (2Z)-N-cyclopropyl-2-methoxyimino-2-phenyl-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]acetamide?

The canonical SMILES for (2Z)-N-cyclopropyl-2-methoxyimino-2-phenyl-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]acetamide is CO/N=C(\C(=O)N(Cc1ccc(-c2noc(C(F)(F)F)n2)cc1)C1CC1)c1ccccc1.

What is the InChIKey of (2Z)-N-cyclopropyl-2-methoxyimino-2-phenyl-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]acetamide?

The InChIKey is FMQNFUJZYVHYEW-IMRQLAEWSA-N. The full InChI is InChI=1S/C22H19F3N4O3/c1-31-27-18(15-5-3-2-4-6-15)20(30)29(17-11-12-17)13-14-7-9-16(10-8-14)19-26-21(32-28-19)22(23,24)25/h2-10,17H,11-13H2,1H3/b27-18-.

What are the key properties of (2Z)-N-cyclopropyl-2-methoxyimino-2-phenyl-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]acetamide?

(2Z)-N-cyclopropyl-2-methoxyimino-2-phenyl-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]acetamide has a molecular weight of 444.41 g/mol, XLogP of 4.30, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2Z)-N-cyclopropyl-2-methoxyimino-2-phenyl-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]acetamide is sourced from PubChem (CID 137366718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).