N-[(3-methoxyphenyl)methyl]-4-(2-morpholin-4-ylethoxymethyl)-N-[(3-morpholin-4-ylphenyl)methyl]-1,3-oxazol-2-amine

C29H38N4O5 — CID 167466247

About N-[(3-methoxyphenyl)methyl]-4-(2-morpholin-4-ylethoxymethyl)-N-[(3-morpholin-4-ylphenyl)methyl]-1,3-oxazol-2-amine

N-[(3-methoxyphenyl)methyl]-4-(2-morpholin-4-ylethoxymethyl)-N-[(3-morpholin-4-ylphenyl)methyl]-1,3-oxazol-2-amine (PubChem CID 167466247) has the molecular formula C29H38N4O5 and a molecular weight of 522.65 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-4-(2-morpholin-4-ylethoxymethyl)-N-[(3-morpholin-4-ylphenyl)methyl]-1,3-oxazol-2-amine.

Molecular Properties

• Compound Name: N-[(3-methoxyphenyl)methyl]-4-(2-morpholin-4-ylethoxymethyl)-N-[(3-morpholin-4-ylphenyl)methyl]-1,3-oxazol-2-amine
• PubChem CID: 167466247
• Molecular Formula: C29H38N4O5
• Molecular Weight: 522.65 g/mol
• Exact Mass: 522.28
• IUPAC Name: N-[(3-methoxyphenyl)methyl]-4-(2-morpholin-4-ylethoxymethyl)-N-[(3-morpholin-4-ylphenyl)methyl]-1,3-oxazol-2-amine
• SMILES: COc1cccc(CN(Cc2cccc(N3CCOCC3)c2)c2nc(COCCN3CCOCC3)co2)c1
• InChI: InChI=1S/C29H38N4O5/c1-34-28-7-3-5-25(19-28)21-33(20-24-4-2-6-27(18-24)32-11-16-36-17-12-32)29-30-26(23-38-29)22-37-15-10-31-8-13-35-14-9-31/h2-7,18-19,23H,8-17,20-22H2,1H3
• InChIKey: HQJHFGSLXRQJJZ-UHFFFAOYSA-N
• XLogP: 3.58
• TPSA: 72.67 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 12
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	522.65
LogP ≤ 5	3.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-4-(2-morpholin-4-ylethoxymethyl)-N-[(3-morpholin-4-ylphenyl)methyl]-1,3-oxazol-2-amine?

The IUPAC name of N-[(3-methoxyphenyl)methyl]-4-(2-morpholin-4-ylethoxymethyl)-N-[(3-morpholin-4-ylphenyl)methyl]-1,3-oxazol-2-amine (CID 167466247) is N-[(3-methoxyphenyl)methyl]-4-(2-morpholin-4-ylethoxymethyl)-N-[(3-morpholin-4-ylphenyl)methyl]-1,3-oxazol-2-amine.

What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-4-(2-morpholin-4-ylethoxymethyl)-N-[(3-morpholin-4-ylphenyl)methyl]-1,3-oxazol-2-amine?

The canonical SMILES for N-[(3-methoxyphenyl)methyl]-4-(2-morpholin-4-ylethoxymethyl)-N-[(3-morpholin-4-ylphenyl)methyl]-1,3-oxazol-2-amine is COc1cccc(CN(Cc2cccc(N3CCOCC3)c2)c2nc(COCCN3CCOCC3)co2)c1.

What is the InChIKey of N-[(3-methoxyphenyl)methyl]-4-(2-morpholin-4-ylethoxymethyl)-N-[(3-morpholin-4-ylphenyl)methyl]-1,3-oxazol-2-amine?

The InChIKey is HQJHFGSLXRQJJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H38N4O5/c1-34-28-7-3-5-25(19-28)21-33(20-24-4-2-6-27(18-24)32-11-16-36-17-12-32)29-30-26(23-38-29)22-37-15-10-31-8-13-35-14-9-31/h2-7,18-19,23H,8-17,20-22H2,1H3.

What are the key properties of N-[(3-methoxyphenyl)methyl]-4-(2-morpholin-4-ylethoxymethyl)-N-[(3-morpholin-4-ylphenyl)methyl]-1,3-oxazol-2-amine?

N-[(3-methoxyphenyl)methyl]-4-(2-morpholin-4-ylethoxymethyl)-N-[(3-morpholin-4-ylphenyl)methyl]-1,3-oxazol-2-amine has a molecular weight of 522.65 g/mol, XLogP of 3.58, 12 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3-methoxyphenyl)methyl]-4-(2-morpholin-4-ylethoxymethyl)-N-[(3-morpholin-4-ylphenyl)methyl]-1,3-oxazol-2-amine is sourced from PubChem (CID 167466247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).