N-[(2E,4E)-5-[3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]hexa-2,4-dienyl]hydroxylamine

C23H24N2O3 — CID 10667246

About N-[(2E,4E)-5-[3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]hexa-2,4-dienyl]hydroxylamine

N-[(2E,4E)-5-[3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]hexa-2,4-dienyl]hydroxylamine (PubChem CID 10667246) has the molecular formula C23H24N2O3 and a molecular weight of 376.46 g/mol. Its IUPAC name is N-[(2E,4E)-5-[3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]hexa-2,4-dienyl]hydroxylamine.

Molecular Properties

• Compound Name: N-[(2E,4E)-5-[3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]hexa-2,4-dienyl]hydroxylamine
• PubChem CID: 10667246
• Molecular Formula: C23H24N2O3
• Molecular Weight: 376.46 g/mol
• Exact Mass: 376.18
• IUPAC Name: N-[(2E,4E)-5-[3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]hexa-2,4-dienyl]hydroxylamine
• SMILES: C/C(=C\C=C\CNO)c1cccc(OCc2nc(-c3ccccc3)oc2C)c1
• InChI: InChI=1S/C23H24N2O3/c1-17(9-6-7-14-24-26)20-12-8-13-21(15-20)27-16-22-18(2)28-23(25-22)19-10-4-3-5-11-19/h3-13,15,24,26H,14,16H2,1-2H3/b7-6+,17-9+
• InChIKey: GPDUMJDGVJUOTN-GQJAYTKNSA-N
• XLogP: 5.17
• TPSA: 67.52 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	376.46
LogP ≤ 5	5.17
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(2E,4E)-5-[3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]hexa-2,4-dienyl]hydroxylamine?

The IUPAC name of N-[(2E,4E)-5-[3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]hexa-2,4-dienyl]hydroxylamine (CID 10667246) is N-[(2E,4E)-5-[3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]hexa-2,4-dienyl]hydroxylamine.

What is the SMILES notation for N-[(2E,4E)-5-[3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]hexa-2,4-dienyl]hydroxylamine?

The canonical SMILES for N-[(2E,4E)-5-[3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]hexa-2,4-dienyl]hydroxylamine is C/C(=C\C=C\CNO)c1cccc(OCc2nc(-c3ccccc3)oc2C)c1.

What is the InChIKey of N-[(2E,4E)-5-[3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]hexa-2,4-dienyl]hydroxylamine?

The InChIKey is GPDUMJDGVJUOTN-GQJAYTKNSA-N. The full InChI is InChI=1S/C23H24N2O3/c1-17(9-6-7-14-24-26)20-12-8-13-21(15-20)27-16-22-18(2)28-23(25-22)19-10-4-3-5-11-19/h3-13,15,24,26H,14,16H2,1-2H3/b7-6+,17-9+.

What are the key properties of N-[(2E,4E)-5-[3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]hexa-2,4-dienyl]hydroxylamine?

N-[(2E,4E)-5-[3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]hexa-2,4-dienyl]hydroxylamine has a molecular weight of 376.46 g/mol, XLogP of 5.17, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2E,4E)-5-[3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]hexa-2,4-dienyl]hydroxylamine is sourced from PubChem (CID 10667246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).