4-[[4-[3-(2-ethoxyethoxy)propyl]phenoxy]methyl]-5-methyl-3-phenyl-1,2-oxazole

C24H29NO4 — CID 68883684

IUPAC4-[[4-[3-(2-ethoxyethoxy)propyl]phenoxy]methyl]-5-methyl-3-phenyl-1,2-oxazole
SMILESCCOCCOCCCc1ccc(OCc2c(-c3ccccc3)noc2C)cc1
InChIInChI=1S/C24H29NO4/c1-3-26-16-17-27-15-7-8-20-11-13-22(14-12-20)28-18-23-19(2)29-25-24(23)21-9-5-4-6-10-21/h4-6,9-14H,3,7-8,15-18H2,1-2H3
InChIKeyJOEAZOUYKFUFPF-UHFFFAOYSA-N
MW395.50 g/mol
LogP5.21
Rot. Bonds12

About 4-[[4-[3-(2-ethoxyethoxy)propyl]phenoxy]methyl]-5-methyl-3-phenyl-1,2-oxazole

4-[[4-[3-(2-ethoxyethoxy)propyl]phenoxy]methyl]-5-methyl-3-phenyl-1,2-oxazole (PubChem CID 68883684) has the molecular formula C24H29NO4 and a molecular weight of 395.50 g/mol. Its IUPAC name is 4-[[4-[3-(2-ethoxyethoxy)propyl]phenoxy]methyl]-5-methyl-3-phenyl-1,2-oxazole.

Molecular Properties

Compound Name4-[[4-[3-(2-ethoxyethoxy)propyl]phenoxy]methyl]-5-methyl-3-phenyl-1,2-oxazole
PubChem CID68883684
Molecular FormulaC24H29NO4
Molecular Weight395.50 g/mol
Exact Mass395.21
IUPAC Name4-[[4-[3-(2-ethoxyethoxy)propyl]phenoxy]methyl]-5-methyl-3-phenyl-1,2-oxazole
SMILESCCOCCOCCCc1ccc(OCc2c(-c3ccccc3)noc2C)cc1
InChIInChI=1S/C24H29NO4/c1-3-26-16-17-27-15-7-8-20-11-13-22(14-12-20)28-18-23-19(2)29-25-24(23)21-9-5-4-6-10-21/h4-6,9-14H,3,7-8,15-18H2,1-2H3
InChIKeyJOEAZOUYKFUFPF-UHFFFAOYSA-N
XLogP5.21
TPSA53.72 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.50
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-[3-(2-ethoxyethoxy)propyl]phenoxy]methyl]-5-methyl-3-phenyl-1,2-oxazole?
The IUPAC name of 4-[[4-[3-(2-ethoxyethoxy)propyl]phenoxy]methyl]-5-methyl-3-phenyl-1,2-oxazole (CID 68883684) is 4-[[4-[3-(2-ethoxyethoxy)propyl]phenoxy]methyl]-5-methyl-3-phenyl-1,2-oxazole.
What is the SMILES notation for 4-[[4-[3-(2-ethoxyethoxy)propyl]phenoxy]methyl]-5-methyl-3-phenyl-1,2-oxazole?
The canonical SMILES for 4-[[4-[3-(2-ethoxyethoxy)propyl]phenoxy]methyl]-5-methyl-3-phenyl-1,2-oxazole is CCOCCOCCCc1ccc(OCc2c(-c3ccccc3)noc2C)cc1.
What is the InChIKey of 4-[[4-[3-(2-ethoxyethoxy)propyl]phenoxy]methyl]-5-methyl-3-phenyl-1,2-oxazole?
The InChIKey is JOEAZOUYKFUFPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29NO4/c1-3-26-16-17-27-15-7-8-20-11-13-22(14-12-20)28-18-23-19(2)29-25-24(23)21-9-5-4-6-10-21/h4-6,9-14H,3,7-8,15-18H2,1-2H3.
What are the key properties of 4-[[4-[3-(2-ethoxyethoxy)propyl]phenoxy]methyl]-5-methyl-3-phenyl-1,2-oxazole?
4-[[4-[3-(2-ethoxyethoxy)propyl]phenoxy]methyl]-5-methyl-3-phenyl-1,2-oxazole has a molecular weight of 395.50 g/mol, XLogP of 5.21, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[3-(2-ethoxyethoxy)propyl]phenoxy]methyl]-5-methyl-3-phenyl-1,2-oxazole is sourced from PubChem (CID 68883684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).