N-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]hex-4-en-2-imine

C24H26N2O3 — CID 59959752

About N-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]hex-4-en-2-imine

N-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]hex-4-en-2-imine (PubChem CID 59959752) has the molecular formula C24H26N2O3 and a molecular weight of 390.48 g/mol. Its IUPAC name is N-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]hex-4-en-2-imine.

Molecular Properties

• Compound Name: N-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]hex-4-en-2-imine
• PubChem CID: 59959752
• Molecular Formula: C24H26N2O3
• Molecular Weight: 390.48 g/mol
• Exact Mass: 390.19
• IUPAC Name: N-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]hex-4-en-2-imine
• SMILES: CC=CCC(C)=NOCc1ccc(OCc2nc(-c3ccccc3)oc2C)cc1
• InChI: InChI=1S/C24H26N2O3/c1-4-5-9-18(2)26-28-16-20-12-14-22(15-13-20)27-17-23-19(3)29-24(25-23)21-10-7-6-8-11-21/h4-8,10-15H,9,16-17H2,1-3H3
• InChIKey: MHYMXVPOQIYPPG-UHFFFAOYSA-N
• XLogP: 6.09
• TPSA: 56.85 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	390.48
LogP ≤ 5	6.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]hex-4-en-2-imine?

The IUPAC name of N-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]hex-4-en-2-imine (CID 59959752) is N-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]hex-4-en-2-imine.

What is the SMILES notation for N-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]hex-4-en-2-imine?

The canonical SMILES for N-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]hex-4-en-2-imine is CC=CCC(C)=NOCc1ccc(OCc2nc(-c3ccccc3)oc2C)cc1.

What is the InChIKey of N-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]hex-4-en-2-imine?

The InChIKey is MHYMXVPOQIYPPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O3/c1-4-5-9-18(2)26-28-16-20-12-14-22(15-13-20)27-17-23-19(3)29-24(25-23)21-10-7-6-8-11-21/h4-8,10-15H,9,16-17H2,1-3H3.

What are the key properties of N-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]hex-4-en-2-imine?

N-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]hex-4-en-2-imine has a molecular weight of 390.48 g/mol, XLogP of 6.09, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]hex-4-en-2-imine is sourced from PubChem (CID 59959752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).