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

C106H146N6O20 — CID 158394668

IUPAC5-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
SMILESCc1ccc(OCCCCCCOCc2cc(C)on2)cc1.Cc1ccc(OCCCCCOCCc2cc(C)on2)cc1.Cc1ccc(OCCCCOCCCc2cc(C)on2)cc1.Cc1ccc(OCCCOCCCCc2cc(C)on2)cc1.Cc1ccc(OCCCOCCOCc2cc(C)on2)cc1.Cc1ccc(OCCOCCCOCc2cc(C)on2)cc1
InChIInChI=1S/4C18H25NO3.2C17H23NO4/c1-15-7-9-18(10-8-15)21-13-4-3-11-20-12-5-6-17-14-16(2)22-19-17;1-15-7-9-18(10-8-15)21-13-5-12-20-11-4-3-6-17-14-16(2)22-19-17;1-15-6-8-18(9-7-15)21-12-5-3-4-11-20-13-10-17-14-16(2)22-19-17;1-15-7-9-18(10-8-15)21-12-6-4-3-5-11-20-14-17-13-16(2)22-19-17;1-14-4-6-17(7-5-14)21-9-3-8-19-10-11-20-13-16-12-15(2)22-18-16;1-14-4-6-17(7-5-14)21-11-10-19-8-3-9-20-13-16-12-15(2)22-18-16/h2*7-10,14H,3-6,11-13H2,1-2H3;6-9,14H,3-5,10-13H2,1-2H3;7-10,13H,3-6,11-12,14H2,1-2H3;2*4-7,12H,3,8-11,13H2,1-2H3
InChIKeyGXJXNDOUBCEKTK-UHFFFAOYSA-N
MW1824.36 g/mol
LogP23.33
Rot. Bonds60

About 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

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 (PubChem CID 158394668) has the molecular formula C106H146N6O20 and a molecular weight of 1824.36 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-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
PubChem CID158394668
Molecular FormulaC106H146N6O20
Molecular Weight1824.36 g/mol
Exact Mass1823.06
IUPAC Name5-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
SMILESCc1ccc(OCCCCCCOCc2cc(C)on2)cc1.Cc1ccc(OCCCCCOCCc2cc(C)on2)cc1.Cc1ccc(OCCCCOCCCc2cc(C)on2)cc1.Cc1ccc(OCCCOCCCCc2cc(C)on2)cc1.Cc1ccc(OCCCOCCOCc2cc(C)on2)cc1.Cc1ccc(OCCOCCCOCc2cc(C)on2)cc1
InChIInChI=1S/4C18H25NO3.2C17H23NO4/c1-15-7-9-18(10-8-15)21-13-4-3-11-20-12-5-6-17-14-16(2)22-19-17;1-15-7-9-18(10-8-15)21-13-5-12-20-11-4-3-6-17-14-16(2)22-19-17;1-15-6-8-18(9-7-15)21-12-5-3-4-11-20-13-10-17-14-16(2)22-19-17;1-15-7-9-18(10-8-15)21-12-6-4-3-5-11-20-14-17-13-16(2)22-19-17;1-14-4-6-17(7-5-14)21-9-3-8-19-10-11-20-13-16-12-15(2)22-18-16;1-14-4-6-17(7-5-14)21-11-10-19-8-3-9-20-13-16-12-15(2)22-18-16/h2*7-10,14H,3-6,11-13H2,1-2H3;6-9,14H,3-5,10-13H2,1-2H3;7-10,13H,3-6,11-12,14H2,1-2H3;2*4-7,12H,3,8-11,13H2,1-2H3
InChIKeyGXJXNDOUBCEKTK-UHFFFAOYSA-N
XLogP23.33
TPSA285.40 Ų
H-Bond Donors
H-Bond Acceptors26
Rotatable Bonds60
Heavy Atoms132
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001824.36
LogP ≤ 523.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ccc(OCCCCCCOCc2cc(C)on2)cc1.Cc1ccc(OCCCCCOCCc2cc(C)on2)cc1.Cc1ccc(OCCCCOCCCc2cc(C)on2)cc1.Cc1ccc(OCCCOCCCCc2cc(C)on2)cc1.Cc1ccc(OCCCOCCOCc2cc(C)on2)cc1.Cc1ccc(OCCOCCCOCc2cc(C)on2)cc1.
What is the InChIKey of 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?
The InChIKey is GXJXNDOUBCEKTK-UHFFFAOYSA-N. The full InChI is InChI=1S/4C18H25NO3.2C17H23NO4/c1-15-7-9-18(10-8-15)21-13-4-3-11-20-12-5-6-17-14-16(2)22-19-17;1-15-7-9-18(10-8-15)21-13-5-12-20-11-4-3-6-17-14-16(2)22-19-17;1-15-6-8-18(9-7-15)21-12-5-3-4-11-20-13-10-17-14-16(2)22-19-17;1-15-7-9-18(10-8-15)21-12-6-4-3-5-11-20-14-17-13-16(2)22-19-17;1-14-4-6-17(7-5-14)21-9-3-8-19-10-11-20-13-16-12-15(2)22-18-16;1-14-4-6-17(7-5-14)21-11-10-19-8-3-9-20-13-16-12-15(2)22-18-16/h2*7-10,14H,3-6,11-13H2,1-2H3;6-9,14H,3-5,10-13H2,1-2H3;7-10,13H,3-6,11-12,14H2,1-2H3;2*4-7,12H,3,8-11,13H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 1824.36 g/mol, XLogP of 23.33, 60 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158394668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).