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

C13H27NO3 — CID 142597175

IUPACethane;3-[3-(2-methoxyethoxy)propyl]-1,2-oxazole
SMILESCC.CC.COCCOCCCc1ccon1
InChIInChI=1S/C9H15NO3.2C2H6/c1-11-7-8-12-5-2-3-9-4-6-13-10-9;2*1-2/h4,6H,2-3,5,7-8H2,1H3;2*1-2H3
InChIKeyMUAYJGKORDSRDD-UHFFFAOYSA-N
MW245.36 g/mol
LogP3.32
Rot. Bonds7

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

ethane;3-[3-(2-methoxyethoxy)propyl]-1,2-oxazole (PubChem CID 142597175) has the molecular formula C13H27NO3 and a molecular weight of 245.36 g/mol. Its IUPAC name is ethane;3-[3-(2-methoxyethoxy)propyl]-1,2-oxazole.

Molecular Properties

Compound Nameethane;3-[3-(2-methoxyethoxy)propyl]-1,2-oxazole
PubChem CID142597175
Molecular FormulaC13H27NO3
Molecular Weight245.36 g/mol
Exact Mass245.20
IUPAC Nameethane;3-[3-(2-methoxyethoxy)propyl]-1,2-oxazole
SMILESCC.CC.COCCOCCCc1ccon1
InChIInChI=1S/C9H15NO3.2C2H6/c1-11-7-8-12-5-2-3-9-4-6-13-10-9;2*1-2/h4,6H,2-3,5,7-8H2,1H3;2*1-2H3
InChIKeyMUAYJGKORDSRDD-UHFFFAOYSA-N
XLogP3.32
TPSA44.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.36
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethane;3-[3-(3-methoxypropoxy)propyl]-1,2-oxazole
CID 142390510
ethane;3-[2-(2-methoxyethoxy)ethoxymethyl]-1,2-oxazole
CID 142385870
3-[2-(3-methoxypropoxy)ethoxymethyl]-1,2-oxazole
CID 134579597
ethane;3-[2-(3-phenoxypropoxy)ethyl]-1,2-oxazole
CID 153330525
ethane;3-[2-[2-(2-phenoxyethoxy)ethoxy]ethyl]-1,2-oxazole
CID 142409422
3-(2-ethoxyethyl)-1,2-oxazole
CID 67275455
1-[3-(2-methoxyethoxy)propyl]-2-methyl-3-(1,2-oxazol-3-ylmethyl)guanidine;hydroiodide
CID 111965280
3-(3-phenoxypropyl)-1,2-oxazole;propane
CID 142390711
3-[2-[5-(4-methylphenoxy)pentoxy]ethyl]-1,2-oxazole
CID 139356742
ethane;3-[2-(3-piperazin-1-ylpropoxy)ethyl]-1,2-oxazole
CID 142385867
3-[2-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]ethyl]-1,2-oxazole
CID 134579533
3-(3-fluoropropyl)-1,2-oxazole
CID 174850907

Frequently Asked Questions

What is the IUPAC name of ethane;3-[3-(2-methoxyethoxy)propyl]-1,2-oxazole?
The IUPAC name of ethane;3-[3-(2-methoxyethoxy)propyl]-1,2-oxazole (CID 142597175) is ethane;3-[3-(2-methoxyethoxy)propyl]-1,2-oxazole.
What is the SMILES notation for ethane;3-[3-(2-methoxyethoxy)propyl]-1,2-oxazole?
The canonical SMILES for ethane;3-[3-(2-methoxyethoxy)propyl]-1,2-oxazole is CC.CC.COCCOCCCc1ccon1.
What is the InChIKey of ethane;3-[3-(2-methoxyethoxy)propyl]-1,2-oxazole?
The InChIKey is MUAYJGKORDSRDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3.2C2H6/c1-11-7-8-12-5-2-3-9-4-6-13-10-9;2*1-2/h4,6H,2-3,5,7-8H2,1H3;2*1-2H3.
What are the key properties of ethane;3-[3-(2-methoxyethoxy)propyl]-1,2-oxazole?
ethane;3-[3-(2-methoxyethoxy)propyl]-1,2-oxazole has a molecular weight of 245.36 g/mol, XLogP of 3.32, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-[3-(2-methoxyethoxy)propyl]-1,2-oxazole is sourced from PubChem (CID 142597175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).