5-methyl-3-[3-(4-phenoxybutoxy)propyl]-1,2-oxazole

C17H23NO3 — CID 155013205

IUPAC5-methyl-3-[3-(4-phenoxybutoxy)propyl]-1,2-oxazole
SMILESCc1cc(CCCOCCCCOc2ccccc2)no1
InChIInChI=1S/C17H23NO3/c1-15-14-16(18-21-15)8-7-12-19-11-5-6-13-20-17-9-3-2-4-10-17/h2-4,9-10,14H,5-8,11-13H2,1H3
InChIKeyAIMZKSWNJGTEIW-UHFFFAOYSA-N
MW289.38 g/mol
LogP3.79
Rot. Bonds10

About 5-methyl-3-[3-(4-phenoxybutoxy)propyl]-1,2-oxazole

5-methyl-3-[3-(4-phenoxybutoxy)propyl]-1,2-oxazole (PubChem CID 155013205) has the molecular formula C17H23NO3 and a molecular weight of 289.38 g/mol. Its IUPAC name is 5-methyl-3-[3-(4-phenoxybutoxy)propyl]-1,2-oxazole.

Molecular Properties

Compound Name5-methyl-3-[3-(4-phenoxybutoxy)propyl]-1,2-oxazole
PubChem CID155013205
Molecular FormulaC17H23NO3
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC Name5-methyl-3-[3-(4-phenoxybutoxy)propyl]-1,2-oxazole
SMILESCc1cc(CCCOCCCCOc2ccccc2)no1
InChIInChI=1S/C17H23NO3/c1-15-14-16(18-21-15)8-7-12-19-11-5-6-13-20-17-9-3-2-4-10-17/h2-4,9-10,14H,5-8,11-13H2,1H3
InChIKeyAIMZKSWNJGTEIW-UHFFFAOYSA-N
XLogP3.79
TPSA44.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 5-methyl-3-[3-(4-phenoxybutoxy)propyl]-1,2-oxazole?
The IUPAC name of 5-methyl-3-[3-(4-phenoxybutoxy)propyl]-1,2-oxazole (CID 155013205) is 5-methyl-3-[3-(4-phenoxybutoxy)propyl]-1,2-oxazole.
What is the SMILES notation for 5-methyl-3-[3-(4-phenoxybutoxy)propyl]-1,2-oxazole?
The canonical SMILES for 5-methyl-3-[3-(4-phenoxybutoxy)propyl]-1,2-oxazole is Cc1cc(CCCOCCCCOc2ccccc2)no1.
What is the InChIKey of 5-methyl-3-[3-(4-phenoxybutoxy)propyl]-1,2-oxazole?
The InChIKey is AIMZKSWNJGTEIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-15-14-16(18-21-15)8-7-12-19-11-5-6-13-20-17-9-3-2-4-10-17/h2-4,9-10,14H,5-8,11-13H2,1H3.
What are the key properties of 5-methyl-3-[3-(4-phenoxybutoxy)propyl]-1,2-oxazole?
5-methyl-3-[3-(4-phenoxybutoxy)propyl]-1,2-oxazole has a molecular weight of 289.38 g/mol, XLogP of 3.79, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[3-(4-phenoxybutoxy)propyl]-1,2-oxazole is sourced from PubChem (CID 155013205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).