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

C16H23NO3 — CID 153330525

IUPACethane;3-[2-(3-phenoxypropoxy)ethyl]-1,2-oxazole
SMILESCC.c1ccc(OCCCOCCc2ccon2)cc1
InChIInChI=1S/C14H17NO3.C2H6/c1-2-5-14(6-3-1)17-10-4-9-16-11-7-13-8-12-18-15-13;1-2/h1-3,5-6,8,12H,4,7,9-11H2;1-2H3
InChIKeySFEACEHBRJECPU-UHFFFAOYSA-N
MW277.36 g/mol
LogP3.73
Rot. Bonds8

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

ethane;3-[2-(3-phenoxypropoxy)ethyl]-1,2-oxazole (PubChem CID 153330525) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is ethane;3-[2-(3-phenoxypropoxy)ethyl]-1,2-oxazole.

Molecular Properties

Compound Nameethane;3-[2-(3-phenoxypropoxy)ethyl]-1,2-oxazole
PubChem CID153330525
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Nameethane;3-[2-(3-phenoxypropoxy)ethyl]-1,2-oxazole
SMILESCC.c1ccc(OCCCOCCc2ccon2)cc1
InChIInChI=1S/C14H17NO3.C2H6/c1-2-5-14(6-3-1)17-10-4-9-16-11-7-13-8-12-18-15-13;1-2/h1-3,5-6,8,12H,4,7,9-11H2;1-2H3
InChIKeySFEACEHBRJECPU-UHFFFAOYSA-N
XLogP3.73
TPSA44.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 53.73
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-[2-[2-(2-phenoxyethoxy)ethoxy]ethyl]-1,2-oxazole
CID 142409422
3-(3-phenoxypropyl)-1,2-oxazole;propane
CID 142390711
3-[2-[5-(4-methylphenoxy)pentoxy]ethyl]-1,2-oxazole
CID 139356742
3-[2-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]ethyl]-1,2-oxazole
CID 134579533
ethane;3-[3-(3-methoxypropoxy)propyl]-1,2-oxazole
CID 142390510
3-(2-ethoxyethyl)-1,2-oxazole
CID 67275455
ethane;3-[3-(2-methoxyethoxy)propyl]-1,2-oxazole
CID 142597175
4-(4-phenoxybutoxy)butoxybenzene
CID 22399981
ethane;5-methyl-3-[5-(2-phenoxyethoxy)pentyl]-1,2-oxazole
CID 171070498
5-methyl-3-[3-(4-phenoxybutoxy)propyl]-1,2-oxazole
CID 155013205
3-[2-[2-(4-phenylpiperazin-1-yl)ethoxy]ethyl]-1,2-oxazole
CID 142385764
3-[2-(3-piperazin-1-ylpropoxy)ethyl]-1,2-oxazole
CID 142385868

Frequently Asked Questions

What is the IUPAC name of ethane;3-[2-(3-phenoxypropoxy)ethyl]-1,2-oxazole?
The IUPAC name of ethane;3-[2-(3-phenoxypropoxy)ethyl]-1,2-oxazole (CID 153330525) is ethane;3-[2-(3-phenoxypropoxy)ethyl]-1,2-oxazole.
What is the SMILES notation for ethane;3-[2-(3-phenoxypropoxy)ethyl]-1,2-oxazole?
The canonical SMILES for ethane;3-[2-(3-phenoxypropoxy)ethyl]-1,2-oxazole is CC.c1ccc(OCCCOCCc2ccon2)cc1.
What is the InChIKey of ethane;3-[2-(3-phenoxypropoxy)ethyl]-1,2-oxazole?
The InChIKey is SFEACEHBRJECPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3.C2H6/c1-2-5-14(6-3-1)17-10-4-9-16-11-7-13-8-12-18-15-13;1-2/h1-3,5-6,8,12H,4,7,9-11H2;1-2H3.
What are the key properties of ethane;3-[2-(3-phenoxypropoxy)ethyl]-1,2-oxazole?
ethane;3-[2-(3-phenoxypropoxy)ethyl]-1,2-oxazole has a molecular weight of 277.36 g/mol, XLogP of 3.73, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-[2-(3-phenoxypropoxy)ethyl]-1,2-oxazole is sourced from PubChem (CID 153330525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).