ethane;3-[2-[2-(2-phenoxyethoxy)ethoxy]ethyl]-1,2-oxazole

C17H25NO4 — CID 142409422

IUPACethane;3-[2-[2-(2-phenoxyethoxy)ethoxy]ethyl]-1,2-oxazole
SMILESCC.c1ccc(OCCOCCOCCc2ccon2)cc1
InChIInChI=1S/C15H19NO4.C2H6/c1-2-4-15(5-3-1)19-13-12-18-11-10-17-8-6-14-7-9-20-16-14;1-2/h1-5,7,9H,6,8,10-13H2;1-2H3
InChIKeyLBWLFCRVKXKEPC-UHFFFAOYSA-N
MW307.39 g/mol
LogP3.36
Rot. Bonds10

About ethane;3-[2-[2-(2-phenoxyethoxy)ethoxy]ethyl]-1,2-oxazole

ethane;3-[2-[2-(2-phenoxyethoxy)ethoxy]ethyl]-1,2-oxazole (PubChem CID 142409422) has the molecular formula C17H25NO4 and a molecular weight of 307.39 g/mol. Its IUPAC name is ethane;3-[2-[2-(2-phenoxyethoxy)ethoxy]ethyl]-1,2-oxazole.

Molecular Properties

Compound Nameethane;3-[2-[2-(2-phenoxyethoxy)ethoxy]ethyl]-1,2-oxazole
PubChem CID142409422
Molecular FormulaC17H25NO4
Molecular Weight307.39 g/mol
Exact Mass307.18
IUPAC Nameethane;3-[2-[2-(2-phenoxyethoxy)ethoxy]ethyl]-1,2-oxazole
SMILESCC.c1ccc(OCCOCCOCCc2ccon2)cc1
InChIInChI=1S/C15H19NO4.C2H6/c1-2-4-15(5-3-1)19-13-12-18-11-10-17-8-6-14-7-9-20-16-14;1-2/h1-5,7,9H,6,8,10-13H2;1-2H3
InChIKeyLBWLFCRVKXKEPC-UHFFFAOYSA-N
XLogP3.36
TPSA53.72 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 53.36
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-(3-phenoxypropoxy)ethyl]-1,2-oxazole
CID 153330525
3-[2-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]ethyl]-1,2-oxazole
CID 134579533
3-(3-phenoxypropyl)-1,2-oxazole;propane
CID 142390711
3-[2-[5-(4-methylphenoxy)pentoxy]ethyl]-1,2-oxazole
CID 139356742
3-(2-ethoxyethyl)-1,2-oxazole
CID 67275455
ethane;3-[3-(2-methoxyethoxy)propyl]-1,2-oxazole
CID 142597175
ethane;2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxybenzene
CID 154643071
ethane;5-methyl-3-[5-(2-phenoxyethoxy)pentyl]-1,2-oxazole
CID 171070498
3-[2-[2-(4-phenylpiperazin-1-yl)ethoxy]ethyl]-1,2-oxazole
CID 142385764
ethane;3-[3-(3-methoxypropoxy)propyl]-1,2-oxazole
CID 142390510
ethane;3-[2-(2-methoxyethoxy)ethoxymethyl]-1,2-oxazole
CID 142385870
2-(3-bromopropoxy)ethoxybenzene
CID 43135436

Frequently Asked Questions

What is the IUPAC name of ethane;3-[2-[2-(2-phenoxyethoxy)ethoxy]ethyl]-1,2-oxazole?
The IUPAC name of ethane;3-[2-[2-(2-phenoxyethoxy)ethoxy]ethyl]-1,2-oxazole (CID 142409422) is ethane;3-[2-[2-(2-phenoxyethoxy)ethoxy]ethyl]-1,2-oxazole.
What is the SMILES notation for ethane;3-[2-[2-(2-phenoxyethoxy)ethoxy]ethyl]-1,2-oxazole?
The canonical SMILES for ethane;3-[2-[2-(2-phenoxyethoxy)ethoxy]ethyl]-1,2-oxazole is CC.c1ccc(OCCOCCOCCc2ccon2)cc1.
What is the InChIKey of ethane;3-[2-[2-(2-phenoxyethoxy)ethoxy]ethyl]-1,2-oxazole?
The InChIKey is LBWLFCRVKXKEPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4.C2H6/c1-2-4-15(5-3-1)19-13-12-18-11-10-17-8-6-14-7-9-20-16-14;1-2/h1-5,7,9H,6,8,10-13H2;1-2H3.
What are the key properties of ethane;3-[2-[2-(2-phenoxyethoxy)ethoxy]ethyl]-1,2-oxazole?
ethane;3-[2-[2-(2-phenoxyethoxy)ethoxy]ethyl]-1,2-oxazole has a molecular weight of 307.39 g/mol, XLogP of 3.36, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-[2-[2-(2-phenoxyethoxy)ethoxy]ethyl]-1,2-oxazole is sourced from PubChem (CID 142409422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).