N-[3-[[(Z)-2-aminoethenyl]amino]propyl]-N-[4-[[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]acetamide

C26H27F3N4O3 — CID 142263923

About N-[3-[[(Z)-2-aminoethenyl]amino]propyl]-N-[4-[[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]acetamide

N-[3-[[(Z)-2-aminoethenyl]amino]propyl]-N-[4-[[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]acetamide (PubChem CID 142263923) has the molecular formula C26H27F3N4O3 and a molecular weight of 500.52 g/mol. Its IUPAC name is N-[3-[[(Z)-2-aminoethenyl]amino]propyl]-N-[4-[[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]acetamide.

Molecular Properties

• Compound Name: N-[3-[[(Z)-2-aminoethenyl]amino]propyl]-N-[4-[[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]acetamide
• PubChem CID: 142263923
• Molecular Formula: C26H27F3N4O3
• Molecular Weight: 500.52 g/mol
• Exact Mass: 500.20
• IUPAC Name: N-[3-[[(Z)-2-aminoethenyl]amino]propyl]-N-[4-[[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]acetamide
• SMILES: CC(=O)N(CCCN/C=C\N)c1ccc(OCc2coc(/C=C/c3ccc(C(F)(F)F)cc3)n2)cc1
• InChI: InChI=1S/C26H27F3N4O3/c1-19(34)33(16-2-14-31-15-13-30)23-8-10-24(11-9-23)35-17-22-18-36-25(32-22)12-5-20-3-6-21(7-4-20)26(27,28)29/h3-13,15,18,31H,2,14,16-17,30H2,1H3/b12-5+,15-13-
• InChIKey: CWZPCNBGEDWFJY-LSWZNAMJSA-N
• XLogP: 5.21
• TPSA: 93.62 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	500.52
LogP ≤ 5	5.21
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(Z)-2-aminoethenyl]amino]propyl]-N-[4-[[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]acetamide?

The IUPAC name of N-[3-[[(Z)-2-aminoethenyl]amino]propyl]-N-[4-[[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]acetamide (CID 142263923) is N-[3-[[(Z)-2-aminoethenyl]amino]propyl]-N-[4-[[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]acetamide.

What is the SMILES notation for N-[3-[[(Z)-2-aminoethenyl]amino]propyl]-N-[4-[[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]acetamide?

The canonical SMILES for N-[3-[[(Z)-2-aminoethenyl]amino]propyl]-N-[4-[[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]acetamide is CC(=O)N(CCCN/C=C\N)c1ccc(OCc2coc(/C=C/c3ccc(C(F)(F)F)cc3)n2)cc1.

What is the InChIKey of N-[3-[[(Z)-2-aminoethenyl]amino]propyl]-N-[4-[[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]acetamide?

The InChIKey is CWZPCNBGEDWFJY-LSWZNAMJSA-N. The full InChI is InChI=1S/C26H27F3N4O3/c1-19(34)33(16-2-14-31-15-13-30)23-8-10-24(11-9-23)35-17-22-18-36-25(32-22)12-5-20-3-6-21(7-4-20)26(27,28)29/h3-13,15,18,31H,2,14,16-17,30H2,1H3/b12-5+,15-13-.

What are the key properties of N-[3-[[(Z)-2-aminoethenyl]amino]propyl]-N-[4-[[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]acetamide?

N-[3-[[(Z)-2-aminoethenyl]amino]propyl]-N-[4-[[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]acetamide has a molecular weight of 500.52 g/mol, XLogP of 5.21, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[[(Z)-2-aminoethenyl]amino]propyl]-N-[4-[[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]acetamide is sourced from PubChem (CID 142263923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).