3-[2-[5-(4-methylphenoxy)pentoxy]ethyl]-1,2-oxazole

C17H23NO3 — CID 139356742

IUPAC3-[2-[5-(4-methylphenoxy)pentoxy]ethyl]-1,2-oxazole
SMILESCc1ccc(OCCCCCOCCc2ccon2)cc1
InChIInChI=1S/C17H23NO3/c1-15-5-7-17(8-6-15)20-12-4-2-3-11-19-13-9-16-10-14-21-18-16/h5-8,10,14H,2-4,9,11-13H2,1H3
InChIKeyAKHHLPUUMLDAQT-UHFFFAOYSA-N
MW289.38 g/mol
LogP3.79
Rot. Bonds10

About 3-[2-[5-(4-methylphenoxy)pentoxy]ethyl]-1,2-oxazole

3-[2-[5-(4-methylphenoxy)pentoxy]ethyl]-1,2-oxazole (PubChem CID 139356742) has the molecular formula C17H23NO3 and a molecular weight of 289.38 g/mol. Its IUPAC name is 3-[2-[5-(4-methylphenoxy)pentoxy]ethyl]-1,2-oxazole.

Molecular Properties

Compound Name3-[2-[5-(4-methylphenoxy)pentoxy]ethyl]-1,2-oxazole
PubChem CID139356742
Molecular FormulaC17H23NO3
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC Name3-[2-[5-(4-methylphenoxy)pentoxy]ethyl]-1,2-oxazole
SMILESCc1ccc(OCCCCCOCCc2ccon2)cc1
InChIInChI=1S/C17H23NO3/c1-15-5-7-17(8-6-15)20-12-4-2-3-11-19-13-9-16-10-14-21-18-16/h5-8,10,14H,2-4,9,11-13H2,1H3
InChIKeyAKHHLPUUMLDAQT-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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Related Compounds

3-[2-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]ethyl]-1,2-oxazole
CID 134579533
ethane;3-[2-(3-phenoxypropoxy)ethyl]-1,2-oxazole
CID 153330525
ethane;3-[2-[2-(2-phenoxyethoxy)ethoxy]ethyl]-1,2-oxazole
CID 142409422
5-methyl-3-[2-[4-(4-methylphenoxy)butoxy]ethyl]-1,2-oxazole;5-methyl-3-[4-(4-methylphenoxy)butoxymethyl]-1,2-oxazole;5-methyl-3-[3-[4-(4-methylphenoxy)butoxy]propyl]-1,2-oxazole;5-methyl-3-[4-[2-(4-methylphenoxy)ethoxy]butyl]-1,2-oxazole;5-methyl-3-[2-[2-(4-methylphenoxy)ethoxy]ethoxymethyl]-1,2-oxazole;5-methyl-3-[2-[2-(4-methylphenoxy)ethoxy]ethyl]-1,2-oxazole;5-methyl-3-[3-[2-(4-methylphenoxy)ethoxy]propyl]-1,2-oxazole;5-methyl-3-[6-(4-methylphenoxy)hexoxymethyl]-1,2-oxazole;5-methyl-3-[5-(4-methylphenoxy)pentoxymethyl]-1,2-oxazole;5-methyl-3-[5-(4-methylphenoxy)pentyl]-1,2-oxazole;5-methyl-3-[4-[3-(4-methylphenoxy)propoxy]butyl]-1,2-oxazole;5-methyl-3-[2-[3-(4-methylphenoxy)propoxy]ethyl]-1,2-oxazole;5-methyl-3-[3-(4-methylphenoxy)propoxymethyl]-1,2-oxazole;5-methyl-3-[3-[3-(4-methylphenoxy)propoxy]propyl]-1,2-oxazole
CID 158087725
5-methyl-3-[2-[4-(4-methylphenoxy)butoxy]ethyl]-1,2-oxazole;5-methyl-3-[4-(4-methylphenoxy)butoxymethyl]-1,2-oxazole;5-methyl-3-[3-[4-(4-methylphenoxy)butoxy]propyl]-1,2-oxazole;5-methyl-3-[4-[2-(4-methylphenoxy)ethoxy]butyl]-1,2-oxazole;5-methyl-3-[2-[2-(4-methylphenoxy)ethoxy]ethoxymethyl]-1,2-oxazole;5-methyl-3-[5-[2-(4-methylphenoxy)ethoxy]pentyl]-1,2-oxazole;5-methyl-3-[3-[2-(4-methylphenoxy)ethoxy]propyl]-1,2-oxazole;5-methyl-3-[6-(4-methylphenoxy)hexoxymethyl]-1,2-oxazole;5-methyl-3-[2-[5-(4-methylphenoxy)pentoxy]ethyl]-1,2-oxazole;5-methyl-3-[5-(4-methylphenoxy)pentoxymethyl]-1,2-oxazole;5-methyl-3-[4-[3-(4-methylphenoxy)propoxy]butyl]-1,2-oxazole;5-methyl-3-[2-[3-(4-methylphenoxy)propoxy]ethyl]-1,2-oxazole;5-methyl-3-[3-[3-(4-methylphenoxy)propoxy]propyl]-1,2-oxazole
CID 167590414
5-methyl-3-[3-[4-(4-methylphenoxy)butoxy]propyl]-1,2-oxazole;5-methyl-3-[3-[2-(4-methylphenoxy)ethoxy]propoxymethyl]-1,2-oxazole;5-methyl-3-[6-(4-methylphenoxy)hexoxymethyl]-1,2-oxazole;5-methyl-3-[2-[5-(4-methylphenoxy)pentoxy]ethyl]-1,2-oxazole;5-methyl-3-[4-[3-(4-methylphenoxy)propoxy]butyl]-1,2-oxazole;5-methyl-3-[2-[3-(4-methylphenoxy)propoxy]ethoxymethyl]-1,2-oxazole
CID 158394668
3-(2-ethoxyethyl)-1,2-oxazole
CID 67275455
3-(3-phenoxypropyl)-1,2-oxazole;propane
CID 142390711
methane;5-methyl-3-[2-[4-(4-methylphenoxy)butoxy]ethyl]-1,2-oxazole;5-methyl-3-[4-(4-methylphenoxy)butoxymethyl]-1,2-oxazole;5-methyl-3-[4-(4-methylphenoxy)butyl]-1,2-oxazole;5-methyl-3-[4-[2-(4-methylphenoxy)ethoxy]butyl]-1,2-oxazole;5-methyl-3-[2-[2-(4-methylphenoxy)ethoxy]ethyl]-1,2-oxazole;5-methyl-3-[2-(4-methylphenoxy)ethoxymethyl]-1,2-oxazole;5-methyl-3-[3-[2-(4-methylphenoxy)ethoxy]propyl]-1,2-oxazole;5-methyl-3-[2-(4-methylphenoxy)ethyl]-1,2-oxazole;5-methyl-3-[5-(4-methylphenoxy)pentoxymethyl]-1,2-oxazole;5-methyl-3-[5-(4-methylphenoxy)pentyl]-1,2-oxazole;5-methyl-3-[2-[3-(4-methylphenoxy)propoxy]ethyl]-1,2-oxazole;5-methyl-3-[3-(4-methylphenoxy)propoxymethyl]-1,2-oxazole;5-methyl-3-[3-[3-(4-methylphenoxy)propoxy]propyl]-1,2-oxazole;5-methyl-3-[3-(4-methylphenoxy)propyl]-1,2-oxazole
CID 167638261
5-methyl-3-[2-[4-(4-methylphenoxy)butoxy]ethyl]-1,2-oxazole;5-methyl-3-[4-(4-methylphenoxy)butoxymethyl]-1,2-oxazole;5-methyl-3-[4-(4-methylphenoxy)butyl]-1,2-oxazole;5-methyl-3-[4-[2-(4-methylphenoxy)ethoxy]butyl]-1,2-oxazole;5-methyl-3-[2-[2-(4-methylphenoxy)ethoxy]ethoxymethyl]-1,2-oxazole;5-methyl-3-[2-[2-(4-methylphenoxy)ethoxy]ethyl]-1,2-oxazole;5-methyl-3-[2-(4-methylphenoxy)ethoxymethyl]-1,2-oxazole;5-methyl-3-[5-[2-(4-methylphenoxy)ethoxy]pentyl]-1,2-oxazole;5-methyl-3-[3-[2-(4-methylphenoxy)ethoxy]propyl]-1,2-oxazole;5-methyl-3-[2-(4-methylphenoxy)ethyl]-1,2-oxazole;5-methyl-3-[(4-methylphenoxy)methyl]-1,2-oxazole;5-methyl-3-[5-(4-methylphenoxy)pentoxymethyl]-1,2-oxazole;5-methyl-3-[5-(4-methylphenoxy)pentyl]-1,2-oxazole;5-methyl-3-[2-[3-(4-methylphenoxy)propoxy]ethyl]-1,2-oxazole;5-methyl-3-[3-(4-methylphenoxy)propoxymethyl]-1,2-oxazole;5-methyl-3-[3-[3-(4-methylphenoxy)propoxy]propyl]-1,2-oxazole;5-methyl-3-[3-(4-methylphenoxy)propyl]-1,2-oxazole
CID 158852394
ethane;3-[3-(3-methoxypropoxy)propyl]-1,2-oxazole
CID 142390510
1-methyl-4-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]benzene
CID 22218704

Frequently Asked Questions

What is the IUPAC name of 3-[2-[5-(4-methylphenoxy)pentoxy]ethyl]-1,2-oxazole?
The IUPAC name of 3-[2-[5-(4-methylphenoxy)pentoxy]ethyl]-1,2-oxazole (CID 139356742) is 3-[2-[5-(4-methylphenoxy)pentoxy]ethyl]-1,2-oxazole.
What is the SMILES notation for 3-[2-[5-(4-methylphenoxy)pentoxy]ethyl]-1,2-oxazole?
The canonical SMILES for 3-[2-[5-(4-methylphenoxy)pentoxy]ethyl]-1,2-oxazole is Cc1ccc(OCCCCCOCCc2ccon2)cc1.
What is the InChIKey of 3-[2-[5-(4-methylphenoxy)pentoxy]ethyl]-1,2-oxazole?
The InChIKey is AKHHLPUUMLDAQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-15-5-7-17(8-6-15)20-12-4-2-3-11-19-13-9-16-10-14-21-18-16/h5-8,10,14H,2-4,9,11-13H2,1H3.
What are the key properties of 3-[2-[5-(4-methylphenoxy)pentoxy]ethyl]-1,2-oxazole?
3-[2-[5-(4-methylphenoxy)pentoxy]ethyl]-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 3-[2-[5-(4-methylphenoxy)pentoxy]ethyl]-1,2-oxazole is sourced from PubChem (CID 139356742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).