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

C27H27NO4 — CID 142703553

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

2-[[3-[5-[2-(methoxymethyl)-3-methyl-4-phenylphenyl]-1,2-oxazol-3-yl]phenyl]methoxy]ethanol (PubChem CID 142703553) has the molecular formula C27H27NO4 and a molecular weight of 429.52 g/mol. Its IUPAC name is 2-[[3-[5-[2-(methoxymethyl)-3-methyl-4-phenylphenyl]-1,2-oxazol-3-yl]phenyl]methoxy]ethanol.

Molecular Properties

• Compound Name: 2-[[3-[5-[2-(methoxymethyl)-3-methyl-4-phenylphenyl]-1,2-oxazol-3-yl]phenyl]methoxy]ethanol
• PubChem CID: 142703553
• Molecular Formula: C27H27NO4
• Molecular Weight: 429.52 g/mol
• Exact Mass: 429.19
• IUPAC Name: 2-[[3-[5-[2-(methoxymethyl)-3-methyl-4-phenylphenyl]-1,2-oxazol-3-yl]phenyl]methoxy]ethanol
• SMILES: COCc1c(-c2cc(-c3cccc(COCCO)c3)no2)ccc(-c2ccccc2)c1C
• InChI: InChI=1S/C27H27NO4/c1-19-23(21-8-4-3-5-9-21)11-12-24(25(19)18-30-2)27-16-26(28-32-27)22-10-6-7-20(15-22)17-31-14-13-29/h3-12,15-16,29H,13-14,17-18H2,1-2H3
• InChIKey: DXQVOCNYSCCKQT-UHFFFAOYSA-N
• XLogP: 5.64
• TPSA: 64.72 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	429.52
LogP ≤ 5	5.64
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 2-[[3-[5-[2-(methoxymethyl)-3-methyl-4-phenylphenyl]-1,2-oxazol-3-yl]phenyl]methoxy]ethanol?

The IUPAC name of 2-[[3-[5-[2-(methoxymethyl)-3-methyl-4-phenylphenyl]-1,2-oxazol-3-yl]phenyl]methoxy]ethanol (CID 142703553) is 2-[[3-[5-[2-(methoxymethyl)-3-methyl-4-phenylphenyl]-1,2-oxazol-3-yl]phenyl]methoxy]ethanol.

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

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

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

The InChIKey is DXQVOCNYSCCKQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27NO4/c1-19-23(21-8-4-3-5-9-21)11-12-24(25(19)18-30-2)27-16-26(28-32-27)22-10-6-7-20(15-22)17-31-14-13-29/h3-12,15-16,29H,13-14,17-18H2,1-2H3.

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

2-[[3-[5-[2-(methoxymethyl)-3-methyl-4-phenylphenyl]-1,2-oxazol-3-yl]phenyl]methoxy]ethanol has a molecular weight of 429.52 g/mol, XLogP of 5.64, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[3-[5-[2-(methoxymethyl)-3-methyl-4-phenylphenyl]-1,2-oxazol-3-yl]phenyl]methoxy]ethanol is sourced from PubChem (CID 142703553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).