3-[2-[2-(4-phenylpiperazin-1-yl)ethoxy]ethyl]-1,2-oxazole

C17H23N3O2 — CID 142385764

IUPAC3-[2-[2-(4-phenylpiperazin-1-yl)ethoxy]ethyl]-1,2-oxazole
SMILESc1ccc(N2CCN(CCOCCc3ccon3)CC2)cc1
InChIInChI=1S/C17H23N3O2/c1-2-4-17(5-3-1)20-10-8-19(9-11-20)12-15-21-13-6-16-7-14-22-18-16/h1-5,7,14H,6,8-13,15H2
InChIKeyPHRCTXRCLVCQBF-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.06
Rot. Bonds7

About 3-[2-[2-(4-phenylpiperazin-1-yl)ethoxy]ethyl]-1,2-oxazole

3-[2-[2-(4-phenylpiperazin-1-yl)ethoxy]ethyl]-1,2-oxazole (PubChem CID 142385764) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 3-[2-[2-(4-phenylpiperazin-1-yl)ethoxy]ethyl]-1,2-oxazole.

Molecular Properties

Compound Name3-[2-[2-(4-phenylpiperazin-1-yl)ethoxy]ethyl]-1,2-oxazole
PubChem CID142385764
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name3-[2-[2-(4-phenylpiperazin-1-yl)ethoxy]ethyl]-1,2-oxazole
SMILESc1ccc(N2CCN(CCOCCc3ccon3)CC2)cc1
InChIInChI=1S/C17H23N3O2/c1-2-4-17(5-3-1)20-10-8-19(9-11-20)12-15-21-13-6-16-7-14-22-18-16/h1-5,7,14H,6,8-13,15H2
InChIKeyPHRCTXRCLVCQBF-UHFFFAOYSA-N
XLogP2.06
TPSA41.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.06
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-(4-phenylpiperazin-1-yl)ethoxymethyl]-1,2-oxazole
CID 142385806
5-methyl-3-[2-[2-(4-phenylpiperazin-1-yl)ethoxy]ethyl]-1,2-oxazole
CID 142389997
3-[2-(3-piperazin-1-ylpropoxy)ethyl]-1,2-oxazole
CID 142385868
ethane;3-[2-[2-(2-phenoxyethoxy)ethoxy]ethyl]-1,2-oxazole
CID 142409422
3-[2-(4-methylpiperazin-1-yl)ethyl]-1,2-oxazole
CID 142367397
ethane;3-[2-(3-phenoxypropoxy)ethyl]-1,2-oxazole
CID 153330525
5-methyl-3-[5-(4-phenylpiperazin-1-yl)pentyl]-1,2-oxazole
CID 142390486
ethane;5-methyl-3-[3-(4-phenylpiperazin-1-yl)propyl]-1,2-oxazole
CID 177319242
1-(3-phenoxypropyl)-4-phenylpiperazine;hydrochloride
CID 53329616
ethane;3-[6-(4-methylpiperazin-1-yl)hexyl]-1,2-oxazole
CID 142386109
ethane;3-[4-(4-methylpiperazin-1-yl)butoxymethyl]-1,2-oxazole
CID 142390718
2-(4-phenylpiperazin-1-yl)ethyl nitrate
CID 44569162

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-(4-phenylpiperazin-1-yl)ethoxy]ethyl]-1,2-oxazole?
The IUPAC name of 3-[2-[2-(4-phenylpiperazin-1-yl)ethoxy]ethyl]-1,2-oxazole (CID 142385764) is 3-[2-[2-(4-phenylpiperazin-1-yl)ethoxy]ethyl]-1,2-oxazole.
What is the SMILES notation for 3-[2-[2-(4-phenylpiperazin-1-yl)ethoxy]ethyl]-1,2-oxazole?
The canonical SMILES for 3-[2-[2-(4-phenylpiperazin-1-yl)ethoxy]ethyl]-1,2-oxazole is c1ccc(N2CCN(CCOCCc3ccon3)CC2)cc1.
What is the InChIKey of 3-[2-[2-(4-phenylpiperazin-1-yl)ethoxy]ethyl]-1,2-oxazole?
The InChIKey is PHRCTXRCLVCQBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-2-4-17(5-3-1)20-10-8-19(9-11-20)12-15-21-13-6-16-7-14-22-18-16/h1-5,7,14H,6,8-13,15H2.
What are the key properties of 3-[2-[2-(4-phenylpiperazin-1-yl)ethoxy]ethyl]-1,2-oxazole?
3-[2-[2-(4-phenylpiperazin-1-yl)ethoxy]ethyl]-1,2-oxazole has a molecular weight of 301.39 g/mol, XLogP of 2.06, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-(4-phenylpiperazin-1-yl)ethoxy]ethyl]-1,2-oxazole is sourced from PubChem (CID 142385764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).