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

C18H28N2O6 — CID 135279212

IUPAC3-(3-methoxypropoxymethyl)-5-[2-[3-(5-methyl-1,2-oxazol-3-yl)propoxy]ethoxymethyl]-1,2-oxazole
SMILESCOCCCOCc1cc(COCCOCCCc2cc(C)on2)on1
InChIInChI=1S/C18H28N2O6/c1-15-11-16(19-25-15)5-3-7-22-9-10-24-14-18-12-17(20-26-18)13-23-8-4-6-21-2/h11-12H,3-10,13-14H2,1-2H3
InChIKeyHNXPWKCUATWAMS-UHFFFAOYSA-N
MW368.43 g/mol
LogP2.69
Rot. Bonds15

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

3-(3-methoxypropoxymethyl)-5-[2-[3-(5-methyl-1,2-oxazol-3-yl)propoxy]ethoxymethyl]-1,2-oxazole (PubChem CID 135279212) has the molecular formula C18H28N2O6 and a molecular weight of 368.43 g/mol. Its IUPAC name is 3-(3-methoxypropoxymethyl)-5-[2-[3-(5-methyl-1,2-oxazol-3-yl)propoxy]ethoxymethyl]-1,2-oxazole.

Molecular Properties

Compound Name3-(3-methoxypropoxymethyl)-5-[2-[3-(5-methyl-1,2-oxazol-3-yl)propoxy]ethoxymethyl]-1,2-oxazole
PubChem CID135279212
Molecular FormulaC18H28N2O6
Molecular Weight368.43 g/mol
Exact Mass368.19
IUPAC Name3-(3-methoxypropoxymethyl)-5-[2-[3-(5-methyl-1,2-oxazol-3-yl)propoxy]ethoxymethyl]-1,2-oxazole
SMILESCOCCCOCc1cc(COCCOCCCc2cc(C)on2)on1
InChIInChI=1S/C18H28N2O6/c1-15-11-16(19-25-15)5-3-7-22-9-10-24-14-18-12-17(20-26-18)13-23-8-4-6-21-2/h11-12H,3-10,13-14H2,1-2H3
InChIKeyHNXPWKCUATWAMS-UHFFFAOYSA-N
XLogP2.69
TPSA88.98 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds15
Heavy Atoms26
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxypropoxymethyl)-5-[2-[3-(5-methyl-1,2-oxazol-3-yl)propoxy]ethoxymethyl]-1,2-oxazole?
The IUPAC name of 3-(3-methoxypropoxymethyl)-5-[2-[3-(5-methyl-1,2-oxazol-3-yl)propoxy]ethoxymethyl]-1,2-oxazole (CID 135279212) is 3-(3-methoxypropoxymethyl)-5-[2-[3-(5-methyl-1,2-oxazol-3-yl)propoxy]ethoxymethyl]-1,2-oxazole.
What is the SMILES notation for 3-(3-methoxypropoxymethyl)-5-[2-[3-(5-methyl-1,2-oxazol-3-yl)propoxy]ethoxymethyl]-1,2-oxazole?
The canonical SMILES for 3-(3-methoxypropoxymethyl)-5-[2-[3-(5-methyl-1,2-oxazol-3-yl)propoxy]ethoxymethyl]-1,2-oxazole is COCCCOCc1cc(COCCOCCCc2cc(C)on2)on1.
What is the InChIKey of 3-(3-methoxypropoxymethyl)-5-[2-[3-(5-methyl-1,2-oxazol-3-yl)propoxy]ethoxymethyl]-1,2-oxazole?
The InChIKey is HNXPWKCUATWAMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O6/c1-15-11-16(19-25-15)5-3-7-22-9-10-24-14-18-12-17(20-26-18)13-23-8-4-6-21-2/h11-12H,3-10,13-14H2,1-2H3.
What are the key properties of 3-(3-methoxypropoxymethyl)-5-[2-[3-(5-methyl-1,2-oxazol-3-yl)propoxy]ethoxymethyl]-1,2-oxazole?
3-(3-methoxypropoxymethyl)-5-[2-[3-(5-methyl-1,2-oxazol-3-yl)propoxy]ethoxymethyl]-1,2-oxazole has a molecular weight of 368.43 g/mol, XLogP of 2.69, 15 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxypropoxymethyl)-5-[2-[3-(5-methyl-1,2-oxazol-3-yl)propoxy]ethoxymethyl]-1,2-oxazole is sourced from PubChem (CID 135279212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).