ethane;3-[2-(2-methoxyethoxy)ethoxymethyl]-1,2-oxazole

C11H21NO4 — CID 142385870

IUPACethane;3-[2-(2-methoxyethoxy)ethoxymethyl]-1,2-oxazole
SMILESCC.COCCOCCOCc1ccon1
InChIInChI=1S/C9H15NO4.C2H6/c1-11-4-5-12-6-7-13-8-9-2-3-14-10-9;1-2/h2-3H,4-8H2,1H3;1-2H3
InChIKeyLSJATVWJXNSXMC-UHFFFAOYSA-N
MW231.29 g/mol
LogP1.88
Rot. Bonds8

About ethane;3-[2-(2-methoxyethoxy)ethoxymethyl]-1,2-oxazole

ethane;3-[2-(2-methoxyethoxy)ethoxymethyl]-1,2-oxazole (PubChem CID 142385870) has the molecular formula C11H21NO4 and a molecular weight of 231.29 g/mol. Its IUPAC name is ethane;3-[2-(2-methoxyethoxy)ethoxymethyl]-1,2-oxazole.

Molecular Properties

Compound Nameethane;3-[2-(2-methoxyethoxy)ethoxymethyl]-1,2-oxazole
PubChem CID142385870
Molecular FormulaC11H21NO4
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC Nameethane;3-[2-(2-methoxyethoxy)ethoxymethyl]-1,2-oxazole
SMILESCC.COCCOCCOCc1ccon1
InChIInChI=1S/C9H15NO4.C2H6/c1-11-4-5-12-6-7-13-8-9-2-3-14-10-9;1-2/h2-3H,4-8H2,1H3;1-2H3
InChIKeyLSJATVWJXNSXMC-UHFFFAOYSA-N
XLogP1.88
TPSA53.72 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 51.88
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-(3-methoxypropoxy)ethoxymethyl]-1,2-oxazole
CID 134579597
ethane;3-[3-(2-methoxyethoxy)propyl]-1,2-oxazole
CID 142597175
ethane;3-[3-(3-methoxypropoxy)propyl]-1,2-oxazole
CID 142390510
ethane;3-[4-(4-methylpiperazin-1-yl)butoxymethyl]-1,2-oxazole
CID 142390718
2-methoxy-N-(1,2-oxazol-3-ylmethyl)ethanamine
CID 62544782
2-(2-methoxyethoxy)-N-(1,2-oxazol-3-yl)acetamide
CID 103895196
1-[3-(2-methoxyethoxy)propyl]-2-methyl-3-(1,2-oxazol-3-ylmethyl)guanidine;hydroiodide
CID 111965280
ethane;3-[2-[2-(2-phenoxyethoxy)ethoxy]ethyl]-1,2-oxazole
CID 142409422
3-(2-ethoxyethyl)-1,2-oxazole
CID 67275455
3-methoxy-2-(1,2-oxazol-3-ylmethylamino)propanoic acid
CID 103259741
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

Frequently Asked Questions

What is the IUPAC name of ethane;3-[2-(2-methoxyethoxy)ethoxymethyl]-1,2-oxazole?
The IUPAC name of ethane;3-[2-(2-methoxyethoxy)ethoxymethyl]-1,2-oxazole (CID 142385870) is ethane;3-[2-(2-methoxyethoxy)ethoxymethyl]-1,2-oxazole.
What is the SMILES notation for ethane;3-[2-(2-methoxyethoxy)ethoxymethyl]-1,2-oxazole?
The canonical SMILES for ethane;3-[2-(2-methoxyethoxy)ethoxymethyl]-1,2-oxazole is CC.COCCOCCOCc1ccon1.
What is the InChIKey of ethane;3-[2-(2-methoxyethoxy)ethoxymethyl]-1,2-oxazole?
The InChIKey is LSJATVWJXNSXMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO4.C2H6/c1-11-4-5-12-6-7-13-8-9-2-3-14-10-9;1-2/h2-3H,4-8H2,1H3;1-2H3.
What are the key properties of ethane;3-[2-(2-methoxyethoxy)ethoxymethyl]-1,2-oxazole?
ethane;3-[2-(2-methoxyethoxy)ethoxymethyl]-1,2-oxazole has a molecular weight of 231.29 g/mol, XLogP of 1.88, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-[2-(2-methoxyethoxy)ethoxymethyl]-1,2-oxazole is sourced from PubChem (CID 142385870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).