3-(3-methoxypropoxymethyl)-5-[2-[2-[3-[5-[2-[3-[2-(5-methyl-1,2-oxazol-3-yl)ethoxy]propoxy]ethyl]-1,2-oxazol-3-yl]propoxy]ethoxy]ethyl]-1,2-oxazole

C29H45N3O9 — CID 155031245

IUPAC3-(3-methoxypropoxymethyl)-5-[2-[2-[3-[5-[2-[3-[2-(5-methyl-1,2-oxazol-3-yl)ethoxy]propoxy]ethyl]-1,2-oxazol-3-yl]propoxy]ethoxy]ethyl]-1,2-oxazole
SMILESCOCCCOCc1cc(CCOCCOCCCc2cc(CCOCCCOCCc3cc(C)on3)on2)on1
InChIInChI=1S/C29H45N3O9/c1-24-20-26(30-39-24)7-15-34-12-5-13-35-16-8-28-21-25(31-40-28)6-3-11-36-18-19-37-17-9-29-22-27(32-41-29)23-38-14-4-10-33-2/h20-22H,3-19,23H2,1-2H3
InChIKeyHPNJRXYLCRPZNR-UHFFFAOYSA-N
MW579.69 g/mol
LogP3.93
Rot. Bonds26

About 3-(3-methoxypropoxymethyl)-5-[2-[2-[3-[5-[2-[3-[2-(5-methyl-1,2-oxazol-3-yl)ethoxy]propoxy]ethyl]-1,2-oxazol-3-yl]propoxy]ethoxy]ethyl]-1,2-oxazole

3-(3-methoxypropoxymethyl)-5-[2-[2-[3-[5-[2-[3-[2-(5-methyl-1,2-oxazol-3-yl)ethoxy]propoxy]ethyl]-1,2-oxazol-3-yl]propoxy]ethoxy]ethyl]-1,2-oxazole (PubChem CID 155031245) has the molecular formula C29H45N3O9 and a molecular weight of 579.69 g/mol. Its IUPAC name is 3-(3-methoxypropoxymethyl)-5-[2-[2-[3-[5-[2-[3-[2-(5-methyl-1,2-oxazol-3-yl)ethoxy]propoxy]ethyl]-1,2-oxazol-3-yl]propoxy]ethoxy]ethyl]-1,2-oxazole.

Molecular Properties

Compound Name3-(3-methoxypropoxymethyl)-5-[2-[2-[3-[5-[2-[3-[2-(5-methyl-1,2-oxazol-3-yl)ethoxy]propoxy]ethyl]-1,2-oxazol-3-yl]propoxy]ethoxy]ethyl]-1,2-oxazole
PubChem CID155031245
Molecular FormulaC29H45N3O9
Molecular Weight579.69 g/mol
Exact Mass579.32
IUPAC Name3-(3-methoxypropoxymethyl)-5-[2-[2-[3-[5-[2-[3-[2-(5-methyl-1,2-oxazol-3-yl)ethoxy]propoxy]ethyl]-1,2-oxazol-3-yl]propoxy]ethoxy]ethyl]-1,2-oxazole
SMILESCOCCCOCc1cc(CCOCCOCCCc2cc(CCOCCCOCCc3cc(C)on3)on2)on1
InChIInChI=1S/C29H45N3O9/c1-24-20-26(30-39-24)7-15-34-12-5-13-35-16-8-28-21-25(31-40-28)6-3-11-36-18-19-37-17-9-29-22-27(32-41-29)23-38-14-4-10-33-2/h20-22H,3-19,23H2,1-2H3
InChIKeyHPNJRXYLCRPZNR-UHFFFAOYSA-N
XLogP3.93
TPSA133.47 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds26
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500579.69
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

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 3-(3-methoxypropoxymethyl)-5-[2-[2-[3-[5-[2-[3-[2-(5-methyl-1,2-oxazol-3-yl)ethoxy]propoxy]ethyl]-1,2-oxazol-3-yl]propoxy]ethoxy]ethyl]-1,2-oxazole?
The IUPAC name of 3-(3-methoxypropoxymethyl)-5-[2-[2-[3-[5-[2-[3-[2-(5-methyl-1,2-oxazol-3-yl)ethoxy]propoxy]ethyl]-1,2-oxazol-3-yl]propoxy]ethoxy]ethyl]-1,2-oxazole (CID 155031245) is 3-(3-methoxypropoxymethyl)-5-[2-[2-[3-[5-[2-[3-[2-(5-methyl-1,2-oxazol-3-yl)ethoxy]propoxy]ethyl]-1,2-oxazol-3-yl]propoxy]ethoxy]ethyl]-1,2-oxazole.
What is the SMILES notation for 3-(3-methoxypropoxymethyl)-5-[2-[2-[3-[5-[2-[3-[2-(5-methyl-1,2-oxazol-3-yl)ethoxy]propoxy]ethyl]-1,2-oxazol-3-yl]propoxy]ethoxy]ethyl]-1,2-oxazole?
The canonical SMILES for 3-(3-methoxypropoxymethyl)-5-[2-[2-[3-[5-[2-[3-[2-(5-methyl-1,2-oxazol-3-yl)ethoxy]propoxy]ethyl]-1,2-oxazol-3-yl]propoxy]ethoxy]ethyl]-1,2-oxazole is COCCCOCc1cc(CCOCCOCCCc2cc(CCOCCCOCCc3cc(C)on3)on2)on1.
What is the InChIKey of 3-(3-methoxypropoxymethyl)-5-[2-[2-[3-[5-[2-[3-[2-(5-methyl-1,2-oxazol-3-yl)ethoxy]propoxy]ethyl]-1,2-oxazol-3-yl]propoxy]ethoxy]ethyl]-1,2-oxazole?
The InChIKey is HPNJRXYLCRPZNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H45N3O9/c1-24-20-26(30-39-24)7-15-34-12-5-13-35-16-8-28-21-25(31-40-28)6-3-11-36-18-19-37-17-9-29-22-27(32-41-29)23-38-14-4-10-33-2/h20-22H,3-19,23H2,1-2H3.
What are the key properties of 3-(3-methoxypropoxymethyl)-5-[2-[2-[3-[5-[2-[3-[2-(5-methyl-1,2-oxazol-3-yl)ethoxy]propoxy]ethyl]-1,2-oxazol-3-yl]propoxy]ethoxy]ethyl]-1,2-oxazole?
3-(3-methoxypropoxymethyl)-5-[2-[2-[3-[5-[2-[3-[2-(5-methyl-1,2-oxazol-3-yl)ethoxy]propoxy]ethyl]-1,2-oxazol-3-yl]propoxy]ethoxy]ethyl]-1,2-oxazole has a molecular weight of 579.69 g/mol, XLogP of 3.93, 26 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxypropoxymethyl)-5-[2-[2-[3-[5-[2-[3-[2-(5-methyl-1,2-oxazol-3-yl)ethoxy]propoxy]ethyl]-1,2-oxazol-3-yl]propoxy]ethoxy]ethyl]-1,2-oxazole is sourced from PubChem (CID 155031245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).