(4E)-4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methoxyimino]-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylpentanamide

C22H28ClN7O3 — CID 118032695

About (4E)-4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methoxyimino]-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylpentanamide

(4E)-4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methoxyimino]-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylpentanamide (PubChem CID 118032695) has the molecular formula C22H28ClN7O3 and a molecular weight of 473.97 g/mol. Its IUPAC name is (4E)-4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methoxyimino]-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylpentanamide.

Molecular Properties

• Compound Name: (4E)-4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methoxyimino]-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylpentanamide
• PubChem CID: 118032695
• Molecular Formula: C22H28ClN7O3
• Molecular Weight: 473.97 g/mol
• Exact Mass: 473.19
• IUPAC Name: (4E)-4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methoxyimino]-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylpentanamide
• SMILES: CCN(C(=O)CC/C(C)=N/OCc1noc(C(C)(C)C)n1)c1cn(-c2cccnc2)nc1Cl
• InChI: InChI=1S/C22H28ClN7O3/c1-6-29(17-13-30(26-20(17)23)16-8-7-11-24-12-16)19(31)10-9-15(2)27-32-14-18-25-21(33-28-18)22(3,4)5/h7-8,11-13H,6,9-10,14H2,1-5H3/b27-15+
• InChIKey: HCOBYZSKEZASIV-JFLMPSFJSA-N
• XLogP: 4.33
• TPSA: 111.53 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	473.97
LogP ≤ 5	4.33
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

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 (4E)-4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methoxyimino]-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylpentanamide?

The IUPAC name of (4E)-4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methoxyimino]-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylpentanamide (CID 118032695) is (4E)-4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methoxyimino]-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylpentanamide.

What is the SMILES notation for (4E)-4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methoxyimino]-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylpentanamide?

The canonical SMILES for (4E)-4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methoxyimino]-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylpentanamide is CCN(C(=O)CC/C(C)=N/OCc1noc(C(C)(C)C)n1)c1cn(-c2cccnc2)nc1Cl.

What is the InChIKey of (4E)-4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methoxyimino]-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylpentanamide?

The InChIKey is HCOBYZSKEZASIV-JFLMPSFJSA-N. The full InChI is InChI=1S/C22H28ClN7O3/c1-6-29(17-13-30(26-20(17)23)16-8-7-11-24-12-16)19(31)10-9-15(2)27-32-14-18-25-21(33-28-18)22(3,4)5/h7-8,11-13H,6,9-10,14H2,1-5H3/b27-15+.

What are the key properties of (4E)-4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methoxyimino]-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylpentanamide?

(4E)-4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methoxyimino]-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylpentanamide has a molecular weight of 473.97 g/mol, XLogP of 4.33, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (4E)-4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methoxyimino]-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylpentanamide is sourced from PubChem (CID 118032695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).