N-[(Z)-1-[4-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]phenyl]heptan-3-ylideneamino]-N-phenylacetamide

C29H30N4O3 — CID 136614722

About N-[(Z)-1-[4-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]phenyl]heptan-3-ylideneamino]-N-phenylacetamide

N-[(Z)-1-[4-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]phenyl]heptan-3-ylideneamino]-N-phenylacetamide (PubChem CID 136614722) has the molecular formula C29H30N4O3 and a molecular weight of 482.58 g/mol. Its IUPAC name is N-[(Z)-1-[4-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]phenyl]heptan-3-ylideneamino]-N-phenylacetamide.

Molecular Properties

• Compound Name: N-[(Z)-1-[4-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]phenyl]heptan-3-ylideneamino]-N-phenylacetamide
• PubChem CID: 136614722
• Molecular Formula: C29H30N4O3
• Molecular Weight: 482.58 g/mol
• Exact Mass: 482.23
• IUPAC Name: N-[(Z)-1-[4-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]phenyl]heptan-3-ylideneamino]-N-phenylacetamide
• SMILES: CCCC/C(CCc1ccc(-c2ccccc2-c2noc(=O)[nH]2)cc1)=N/N(C(C)=O)c1ccccc1
• InChI: InChI=1S/C29H30N4O3/c1-3-4-10-24(31-33(21(2)34)25-11-6-5-7-12-25)20-17-22-15-18-23(19-16-22)26-13-8-9-14-27(26)28-30-29(35)36-32-28/h5-9,11-16,18-19H,3-4,10,17,20H2,1-2H3,(H,30,32,35)/b31-24-
• InChIKey: GUGVRCTXDHFBOY-QLTSDVKISA-N
• XLogP: 6.23
• TPSA: 91.56 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	482.58
LogP ≤ 5	6.23
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

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 N-[(Z)-1-[4-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]phenyl]heptan-3-ylideneamino]-N-phenylacetamide?

The IUPAC name of N-[(Z)-1-[4-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]phenyl]heptan-3-ylideneamino]-N-phenylacetamide (CID 136614722) is N-[(Z)-1-[4-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]phenyl]heptan-3-ylideneamino]-N-phenylacetamide.

What is the SMILES notation for N-[(Z)-1-[4-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]phenyl]heptan-3-ylideneamino]-N-phenylacetamide?

The canonical SMILES for N-[(Z)-1-[4-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]phenyl]heptan-3-ylideneamino]-N-phenylacetamide is CCCC/C(CCc1ccc(-c2ccccc2-c2noc(=O)[nH]2)cc1)=N/N(C(C)=O)c1ccccc1.

What is the InChIKey of N-[(Z)-1-[4-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]phenyl]heptan-3-ylideneamino]-N-phenylacetamide?

The InChIKey is GUGVRCTXDHFBOY-QLTSDVKISA-N. The full InChI is InChI=1S/C29H30N4O3/c1-3-4-10-24(31-33(21(2)34)25-11-6-5-7-12-25)20-17-22-15-18-23(19-16-22)26-13-8-9-14-27(26)28-30-29(35)36-32-28/h5-9,11-16,18-19H,3-4,10,17,20H2,1-2H3,(H,30,32,35)/b31-24-.

What are the key properties of N-[(Z)-1-[4-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]phenyl]heptan-3-ylideneamino]-N-phenylacetamide?

N-[(Z)-1-[4-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]phenyl]heptan-3-ylideneamino]-N-phenylacetamide has a molecular weight of 482.58 g/mol, XLogP of 6.23, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(Z)-1-[4-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]phenyl]heptan-3-ylideneamino]-N-phenylacetamide is sourced from PubChem (CID 136614722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).