ethane;3-[2-(4-phenylpiperazin-1-yl)ethoxymethyl]-1,2-oxazole

C20H33N3O2 — CID 142385806

IUPACethane;3-[2-(4-phenylpiperazin-1-yl)ethoxymethyl]-1,2-oxazole
SMILESCC.CC.c1ccc(N2CCN(CCOCc3ccon3)CC2)cc1
InChIInChI=1S/C16H21N3O2.2C2H6/c1-2-4-16(5-3-1)19-9-7-18(8-10-19)11-13-20-14-15-6-12-21-17-15;2*1-2/h1-6,12H,7-11,13-14H2;2*1-2H3
InChIKeyNNIOUVOZTUCMBH-UHFFFAOYSA-N
MW347.50 g/mol
LogP4.07
Rot. Bonds6

About ethane;3-[2-(4-phenylpiperazin-1-yl)ethoxymethyl]-1,2-oxazole

ethane;3-[2-(4-phenylpiperazin-1-yl)ethoxymethyl]-1,2-oxazole (PubChem CID 142385806) has the molecular formula C20H33N3O2 and a molecular weight of 347.50 g/mol. Its IUPAC name is ethane;3-[2-(4-phenylpiperazin-1-yl)ethoxymethyl]-1,2-oxazole.

Molecular Properties

Compound Nameethane;3-[2-(4-phenylpiperazin-1-yl)ethoxymethyl]-1,2-oxazole
PubChem CID142385806
Molecular FormulaC20H33N3O2
Molecular Weight347.50 g/mol
Exact Mass347.26
IUPAC Nameethane;3-[2-(4-phenylpiperazin-1-yl)ethoxymethyl]-1,2-oxazole
SMILESCC.CC.c1ccc(N2CCN(CCOCc3ccon3)CC2)cc1
InChIInChI=1S/C16H21N3O2.2C2H6/c1-2-4-16(5-3-1)19-9-7-18(8-10-19)11-13-20-14-15-6-12-21-17-15;2*1-2/h1-6,12H,7-11,13-14H2;2*1-2H3
InChIKeyNNIOUVOZTUCMBH-UHFFFAOYSA-N
XLogP4.07
TPSA41.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.50
LogP ≤ 54.07
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

3-[2-[2-(4-phenylpiperazin-1-yl)ethoxy]ethyl]-1,2-oxazole
CID 142385764
5-methyl-3-[2-[2-(4-phenylpiperazin-1-yl)ethoxy]ethyl]-1,2-oxazole
CID 142389997
ethane;5-methyl-3-[3-(4-phenylpiperazin-1-yl)propyl]-1,2-oxazole
CID 177319242
ethane;3-[2-(2-methoxyethoxy)ethoxymethyl]-1,2-oxazole
CID 142385870
1,4-bis(2-phenylmethoxyethyl)piperazine
CID 2973061
5-methyl-3-[5-(4-phenylpiperazin-1-yl)pentyl]-1,2-oxazole
CID 142390486
1-(3-phenoxypropyl)-4-phenylpiperazine;hydrochloride
CID 53329616
1-[3-(furan-2-ylmethoxy)propyl]-2-methyl-3-[3-(4-phenylpiperazin-1-yl)propyl]guanidine
CID 111398783
ethane;3-[6-(4-methylpiperazin-1-yl)hexyl]-1,2-oxazole
CID 142386109
3-[2-(4-methylpiperazin-1-yl)ethyl]-1,2-oxazole
CID 142367397
1-methyl-4-(2-phenylmethoxyethyl)piperazine
CID 13309119
1-(2-methoxyethyl)-4-(4-phenylphenyl)piperazine
CID 175772124

Frequently Asked Questions

What is the IUPAC name of ethane;3-[2-(4-phenylpiperazin-1-yl)ethoxymethyl]-1,2-oxazole?
The IUPAC name of ethane;3-[2-(4-phenylpiperazin-1-yl)ethoxymethyl]-1,2-oxazole (CID 142385806) is ethane;3-[2-(4-phenylpiperazin-1-yl)ethoxymethyl]-1,2-oxazole.
What is the SMILES notation for ethane;3-[2-(4-phenylpiperazin-1-yl)ethoxymethyl]-1,2-oxazole?
The canonical SMILES for ethane;3-[2-(4-phenylpiperazin-1-yl)ethoxymethyl]-1,2-oxazole is CC.CC.c1ccc(N2CCN(CCOCc3ccon3)CC2)cc1.
What is the InChIKey of ethane;3-[2-(4-phenylpiperazin-1-yl)ethoxymethyl]-1,2-oxazole?
The InChIKey is NNIOUVOZTUCMBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2.2C2H6/c1-2-4-16(5-3-1)19-9-7-18(8-10-19)11-13-20-14-15-6-12-21-17-15;2*1-2/h1-6,12H,7-11,13-14H2;2*1-2H3.
What are the key properties of ethane;3-[2-(4-phenylpiperazin-1-yl)ethoxymethyl]-1,2-oxazole?
ethane;3-[2-(4-phenylpiperazin-1-yl)ethoxymethyl]-1,2-oxazole has a molecular weight of 347.50 g/mol, XLogP of 4.07, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-[2-(4-phenylpiperazin-1-yl)ethoxymethyl]-1,2-oxazole is sourced from PubChem (CID 142385806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).