2-[2-[3-[5-[2-(methoxymethyl)-3-methyl-4-phenylphenyl]-1,2-oxazol-3-yl]phenyl]ethylamino]ethanol

C28H30N2O3 — CID 142703485

About 2-[2-[3-[5-[2-(methoxymethyl)-3-methyl-4-phenylphenyl]-1,2-oxazol-3-yl]phenyl]ethylamino]ethanol

2-[2-[3-[5-[2-(methoxymethyl)-3-methyl-4-phenylphenyl]-1,2-oxazol-3-yl]phenyl]ethylamino]ethanol (PubChem CID 142703485) has the molecular formula C28H30N2O3 and a molecular weight of 442.56 g/mol. Its IUPAC name is 2-[2-[3-[5-[2-(methoxymethyl)-3-methyl-4-phenylphenyl]-1,2-oxazol-3-yl]phenyl]ethylamino]ethanol.

Molecular Properties

• Compound Name: 2-[2-[3-[5-[2-(methoxymethyl)-3-methyl-4-phenylphenyl]-1,2-oxazol-3-yl]phenyl]ethylamino]ethanol
• PubChem CID: 142703485
• Molecular Formula: C28H30N2O3
• Molecular Weight: 442.56 g/mol
• Exact Mass: 442.23
• IUPAC Name: 2-[2-[3-[5-[2-(methoxymethyl)-3-methyl-4-phenylphenyl]-1,2-oxazol-3-yl]phenyl]ethylamino]ethanol
• SMILES: COCc1c(-c2cc(-c3cccc(CCNCCO)c3)no2)ccc(-c2ccccc2)c1C
• InChI: InChI=1S/C28H30N2O3/c1-20-24(22-8-4-3-5-9-22)11-12-25(26(20)19-32-2)28-18-27(30-33-28)23-10-6-7-21(17-23)13-14-29-15-16-31/h3-12,17-18,29,31H,13-16,19H2,1-2H3
• InChIKey: WNFXWCMUCAHLGK-UHFFFAOYSA-N
• XLogP: 5.25
• TPSA: 67.52 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	442.56
LogP ≤ 5	5.25
H-Bond Donors ≤ 5	2
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 2-[2-[3-[5-[2-(methoxymethyl)-3-methyl-4-phenylphenyl]-1,2-oxazol-3-yl]phenyl]ethylamino]ethanol?

The IUPAC name of 2-[2-[3-[5-[2-(methoxymethyl)-3-methyl-4-phenylphenyl]-1,2-oxazol-3-yl]phenyl]ethylamino]ethanol (CID 142703485) is 2-[2-[3-[5-[2-(methoxymethyl)-3-methyl-4-phenylphenyl]-1,2-oxazol-3-yl]phenyl]ethylamino]ethanol.

What is the SMILES notation for 2-[2-[3-[5-[2-(methoxymethyl)-3-methyl-4-phenylphenyl]-1,2-oxazol-3-yl]phenyl]ethylamino]ethanol?

The canonical SMILES for 2-[2-[3-[5-[2-(methoxymethyl)-3-methyl-4-phenylphenyl]-1,2-oxazol-3-yl]phenyl]ethylamino]ethanol is COCc1c(-c2cc(-c3cccc(CCNCCO)c3)no2)ccc(-c2ccccc2)c1C.

What is the InChIKey of 2-[2-[3-[5-[2-(methoxymethyl)-3-methyl-4-phenylphenyl]-1,2-oxazol-3-yl]phenyl]ethylamino]ethanol?

The InChIKey is WNFXWCMUCAHLGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N2O3/c1-20-24(22-8-4-3-5-9-22)11-12-25(26(20)19-32-2)28-18-27(30-33-28)23-10-6-7-21(17-23)13-14-29-15-16-31/h3-12,17-18,29,31H,13-16,19H2,1-2H3.

What are the key properties of 2-[2-[3-[5-[2-(methoxymethyl)-3-methyl-4-phenylphenyl]-1,2-oxazol-3-yl]phenyl]ethylamino]ethanol?

2-[2-[3-[5-[2-(methoxymethyl)-3-methyl-4-phenylphenyl]-1,2-oxazol-3-yl]phenyl]ethylamino]ethanol has a molecular weight of 442.56 g/mol, XLogP of 5.25, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[3-[5-[2-(methoxymethyl)-3-methyl-4-phenylphenyl]-1,2-oxazol-3-yl]phenyl]ethylamino]ethanol is sourced from PubChem (CID 142703485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).