5-ethoxy-5-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]pentan-1-amine

C24H30N2O3 — CID 68882089

About 5-ethoxy-5-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]pentan-1-amine

5-ethoxy-5-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]pentan-1-amine (PubChem CID 68882089) has the molecular formula C24H30N2O3 and a molecular weight of 394.52 g/mol. Its IUPAC name is 5-ethoxy-5-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]pentan-1-amine.

Molecular Properties

• Compound Name: 5-ethoxy-5-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]pentan-1-amine
• PubChem CID: 68882089
• Molecular Formula: C24H30N2O3
• Molecular Weight: 394.52 g/mol
• Exact Mass: 394.23
• IUPAC Name: 5-ethoxy-5-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]pentan-1-amine
• SMILES: CCOC(CCCCN)c1ccc(OCc2nc(-c3ccccc3)oc2C)cc1
• InChI: InChI=1S/C24H30N2O3/c1-3-27-23(11-7-8-16-25)19-12-14-21(15-13-19)28-17-22-18(2)29-24(26-22)20-9-5-4-6-10-20/h4-6,9-10,12-15,23H,3,7-8,11,16-17,25H2,1-2H3
• InChIKey: WDXZKRYBBAKURA-UHFFFAOYSA-N
• XLogP: 5.44
• TPSA: 70.51 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 11
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	394.52
LogP ≤ 5	5.44
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-5-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]pentan-1-amine?

The IUPAC name of 5-ethoxy-5-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]pentan-1-amine (CID 68882089) is 5-ethoxy-5-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]pentan-1-amine.

What is the SMILES notation for 5-ethoxy-5-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]pentan-1-amine?

The canonical SMILES for 5-ethoxy-5-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]pentan-1-amine is CCOC(CCCCN)c1ccc(OCc2nc(-c3ccccc3)oc2C)cc1.

What is the InChIKey of 5-ethoxy-5-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]pentan-1-amine?

The InChIKey is WDXZKRYBBAKURA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O3/c1-3-27-23(11-7-8-16-25)19-12-14-21(15-13-19)28-17-22-18(2)29-24(26-22)20-9-5-4-6-10-20/h4-6,9-10,12-15,23H,3,7-8,11,16-17,25H2,1-2H3.

What are the key properties of 5-ethoxy-5-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]pentan-1-amine?

5-ethoxy-5-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]pentan-1-amine has a molecular weight of 394.52 g/mol, XLogP of 5.44, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-ethoxy-5-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]pentan-1-amine is sourced from PubChem (CID 68882089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).