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

C16H21NO4 — CID 134579533

IUPAC3-[2-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]ethyl]-1,2-oxazole
SMILESCc1ccc(OCCOCCOCCc2ccon2)cc1
InChIInChI=1S/C16H21NO4/c1-14-2-4-16(5-3-14)20-13-12-19-11-10-18-8-6-15-7-9-21-17-15/h2-5,7,9H,6,8,10-13H2,1H3
InChIKeyZWKFTKOFZVMURG-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.64
Rot. Bonds10

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

3-[2-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]ethyl]-1,2-oxazole (PubChem CID 134579533) has the molecular formula C16H21NO4 and a molecular weight of 291.35 g/mol. Its IUPAC name is 3-[2-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]ethyl]-1,2-oxazole.

Molecular Properties

Compound Name3-[2-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]ethyl]-1,2-oxazole
PubChem CID134579533
Molecular FormulaC16H21NO4
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC Name3-[2-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]ethyl]-1,2-oxazole
SMILESCc1ccc(OCCOCCOCCc2ccon2)cc1
InChIInChI=1S/C16H21NO4/c1-14-2-4-16(5-3-14)20-13-12-19-11-10-18-8-6-15-7-9-21-17-15/h2-5,7,9H,6,8,10-13H2,1H3
InChIKeyZWKFTKOFZVMURG-UHFFFAOYSA-N
XLogP2.64
TPSA53.72 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.64
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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Related Compounds

3-[2-[5-(4-methylphenoxy)pentoxy]ethyl]-1,2-oxazole
CID 139356742
ethane;3-[2-[2-(2-phenoxyethoxy)ethoxy]ethyl]-1,2-oxazole
CID 142409422
ethane;3-[2-(3-phenoxypropoxy)ethyl]-1,2-oxazole
CID 153330525
1-methyl-4-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]benzene
CID 22218704
3-(2-ethoxyethyl)-1,2-oxazole
CID 67275455
1-methyl-4-[2-[4-[2-[2-[4-[2-(4-methylphenyl)ethyl]phenoxy]ethoxy]ethoxy]phenyl]ethyl]benzene
CID 139518655
1-methyl-4-[2-(2-propoxyethoxy)ethoxy]benzene
CID 58462382
3-(3-phenoxypropyl)-1,2-oxazole;propane
CID 142390711
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
1-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]-4-methylbenzene
CID 104567700

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]ethyl]-1,2-oxazole?
The IUPAC name of 3-[2-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]ethyl]-1,2-oxazole (CID 134579533) is 3-[2-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]ethyl]-1,2-oxazole.
What is the SMILES notation for 3-[2-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]ethyl]-1,2-oxazole?
The canonical SMILES for 3-[2-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]ethyl]-1,2-oxazole is Cc1ccc(OCCOCCOCCc2ccon2)cc1.
What is the InChIKey of 3-[2-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]ethyl]-1,2-oxazole?
The InChIKey is ZWKFTKOFZVMURG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO4/c1-14-2-4-16(5-3-14)20-13-12-19-11-10-18-8-6-15-7-9-21-17-15/h2-5,7,9H,6,8,10-13H2,1H3.
What are the key properties of 3-[2-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]ethyl]-1,2-oxazole?
3-[2-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]ethyl]-1,2-oxazole has a molecular weight of 291.35 g/mol, XLogP of 2.64, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]ethyl]-1,2-oxazole is sourced from PubChem (CID 134579533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).