(E)-N-[[4-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]-1-phenyldecan-1-imine

C32H38N2O3S — CID 18379788

About (E)-N-[[4-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]-1-phenyldecan-1-imine

(E)-N-[[4-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]-1-phenyldecan-1-imine (PubChem CID 18379788) has the molecular formula C32H38N2O3S and a molecular weight of 530.73 g/mol. Its IUPAC name is (E)-N-[[4-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]-1-phenyldecan-1-imine.

Molecular Properties

• Compound Name: (E)-N-[[4-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]-1-phenyldecan-1-imine
• PubChem CID: 18379788
• Molecular Formula: C32H38N2O3S
• Molecular Weight: 530.73 g/mol
• Exact Mass: 530.26
• IUPAC Name: (E)-N-[[4-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]-1-phenyldecan-1-imine
• SMILES: CCCCCCCCC/C(=N\OCc1ccc(OCc2nc(-c3cccs3)oc2C)cc1)c1ccccc1
• InChI: InChI=1S/C32H38N2O3S/c1-3-4-5-6-7-8-12-16-29(27-14-10-9-11-15-27)34-36-23-26-18-20-28(21-19-26)35-24-30-25(2)37-32(33-30)31-17-13-22-38-31/h9-11,13-15,17-22H,3-8,12,16,23-24H2,1-2H3/b34-29+
• InChIKey: OXDYHEMWWUVJND-RIHQVDFKSA-N
• XLogP: 9.35
• TPSA: 56.85 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 16
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	530.73
LogP ≤ 5	9.35
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 (E)-N-[[4-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]-1-phenyldecan-1-imine?

The IUPAC name of (E)-N-[[4-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]-1-phenyldecan-1-imine (CID 18379788) is (E)-N-[[4-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]-1-phenyldecan-1-imine.

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

The canonical SMILES for (E)-N-[[4-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]-1-phenyldecan-1-imine is CCCCCCCCC/C(=N\OCc1ccc(OCc2nc(-c3cccs3)oc2C)cc1)c1ccccc1.

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

The InChIKey is OXDYHEMWWUVJND-RIHQVDFKSA-N. The full InChI is InChI=1S/C32H38N2O3S/c1-3-4-5-6-7-8-12-16-29(27-14-10-9-11-15-27)34-36-23-26-18-20-28(21-19-26)35-24-30-25(2)37-32(33-30)31-17-13-22-38-31/h9-11,13-15,17-22H,3-8,12,16,23-24H2,1-2H3/b34-29+.

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

(E)-N-[[4-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]-1-phenyldecan-1-imine has a molecular weight of 530.73 g/mol, XLogP of 9.35, 16 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (E)-N-[[4-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]-1-phenyldecan-1-imine is sourced from PubChem (CID 18379788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).