3-[2-(3-methoxypropoxy)ethoxymethyl]-1,2-oxazole

C10H17NO4 — CID 134579597

IUPAC3-[2-(3-methoxypropoxy)ethoxymethyl]-1,2-oxazole
SMILESCOCCCOCCOCc1ccon1
InChIInChI=1S/C10H17NO4/c1-12-4-2-5-13-7-8-14-9-10-3-6-15-11-10/h3,6H,2,4-5,7-9H2,1H3
InChIKeyZKMWDSOWDHITSO-UHFFFAOYSA-N
MW215.25 g/mol
LogP1.24
Rot. Bonds9

About 3-[2-(3-methoxypropoxy)ethoxymethyl]-1,2-oxazole

3-[2-(3-methoxypropoxy)ethoxymethyl]-1,2-oxazole (PubChem CID 134579597) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is 3-[2-(3-methoxypropoxy)ethoxymethyl]-1,2-oxazole.

Molecular Properties

Compound Name3-[2-(3-methoxypropoxy)ethoxymethyl]-1,2-oxazole
PubChem CID134579597
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Name3-[2-(3-methoxypropoxy)ethoxymethyl]-1,2-oxazole
SMILESCOCCCOCCOCc1ccon1
InChIInChI=1S/C10H17NO4/c1-12-4-2-5-13-7-8-14-9-10-3-6-15-11-10/h3,6H,2,4-5,7-9H2,1H3
InChIKeyZKMWDSOWDHITSO-UHFFFAOYSA-N
XLogP1.24
TPSA53.72 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 51.24
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

ethane;3-[2-(2-methoxyethoxy)ethoxymethyl]-1,2-oxazole
CID 142385870
ethane;3-[3-(3-methoxypropoxy)propyl]-1,2-oxazole
CID 142390510
ethane;3-[3-(2-methoxyethoxy)propyl]-1,2-oxazole
CID 142597175
ethane;3-[4-(4-methylpiperazin-1-yl)butoxymethyl]-1,2-oxazole
CID 142390718
3-chloro-6-[2-(3-methoxypropoxy)ethoxymethyl]pyridazine
CID 103177400
1-[3-(2-methoxyethoxy)propyl]-2-methyl-3-(1,2-oxazol-3-ylmethyl)guanidine;hydroiodide
CID 111965280
ethane;3-[2-(3-phenoxypropoxy)ethyl]-1,2-oxazole
CID 153330525
2-methoxy-N-(1,2-oxazol-3-ylmethyl)ethanamine
CID 62544782
2-chloro-5-[2-(3-methoxypropoxy)ethoxymethyl]pyrazine
CID 103177429
[6-[3-(2-methoxyethoxy)propoxymethyl]-2-pyridinyl]methanamine
CID 106908742
[2-[2-(3-methoxypropoxy)ethoxymethyl]phenyl]methanamine
CID 103177032
N-[[5-[2-(3-methoxypropoxy)ethoxymethyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine
CID 103180982

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-methoxypropoxy)ethoxymethyl]-1,2-oxazole?
The IUPAC name of 3-[2-(3-methoxypropoxy)ethoxymethyl]-1,2-oxazole (CID 134579597) is 3-[2-(3-methoxypropoxy)ethoxymethyl]-1,2-oxazole.
What is the SMILES notation for 3-[2-(3-methoxypropoxy)ethoxymethyl]-1,2-oxazole?
The canonical SMILES for 3-[2-(3-methoxypropoxy)ethoxymethyl]-1,2-oxazole is COCCCOCCOCc1ccon1.
What is the InChIKey of 3-[2-(3-methoxypropoxy)ethoxymethyl]-1,2-oxazole?
The InChIKey is ZKMWDSOWDHITSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4/c1-12-4-2-5-13-7-8-14-9-10-3-6-15-11-10/h3,6H,2,4-5,7-9H2,1H3.
What are the key properties of 3-[2-(3-methoxypropoxy)ethoxymethyl]-1,2-oxazole?
3-[2-(3-methoxypropoxy)ethoxymethyl]-1,2-oxazole has a molecular weight of 215.25 g/mol, XLogP of 1.24, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-methoxypropoxy)ethoxymethyl]-1,2-oxazole is sourced from PubChem (CID 134579597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).