ethane;3-[4-(4-methylpiperazin-1-yl)butoxymethyl]-1,2-oxazole

C15H29N3O2 — CID 142390718

IUPACethane;3-[4-(4-methylpiperazin-1-yl)butoxymethyl]-1,2-oxazole
SMILESCC.CN1CCN(CCCCOCc2ccon2)CC1
InChIInChI=1S/C13H23N3O2.C2H6/c1-15-6-8-16(9-7-15)5-2-3-10-17-12-13-4-11-18-14-13;1-2/h4,11H,2-3,5-10,12H2,1H3;1-2H3
InChIKeyIFDBAOLCIYYQBC-UHFFFAOYSA-N
MW283.42 g/mol
LogP2.24
Rot. Bonds7

About ethane;3-[4-(4-methylpiperazin-1-yl)butoxymethyl]-1,2-oxazole

ethane;3-[4-(4-methylpiperazin-1-yl)butoxymethyl]-1,2-oxazole (PubChem CID 142390718) has the molecular formula C15H29N3O2 and a molecular weight of 283.42 g/mol. Its IUPAC name is ethane;3-[4-(4-methylpiperazin-1-yl)butoxymethyl]-1,2-oxazole.

Molecular Properties

Compound Nameethane;3-[4-(4-methylpiperazin-1-yl)butoxymethyl]-1,2-oxazole
PubChem CID142390718
Molecular FormulaC15H29N3O2
Molecular Weight283.42 g/mol
Exact Mass283.23
IUPAC Nameethane;3-[4-(4-methylpiperazin-1-yl)butoxymethyl]-1,2-oxazole
SMILESCC.CN1CCN(CCCCOCc2ccon2)CC1
InChIInChI=1S/C13H23N3O2.C2H6/c1-15-6-8-16(9-7-15)5-2-3-10-17-12-13-4-11-18-14-13;1-2/h4,11H,2-3,5-10,12H2,1H3;1-2H3
InChIKeyIFDBAOLCIYYQBC-UHFFFAOYSA-N
XLogP2.24
TPSA41.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 52.24
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-[6-(4-methylpiperazin-1-yl)hexyl]-1,2-oxazole
CID 142386109
ethane;3-[2-(4-phenylpiperazin-1-yl)ethoxymethyl]-1,2-oxazole
CID 142385806
3-[2-(4-methylpiperazin-1-yl)ethyl]-1,2-oxazole
CID 142367397
ethane;3-[2-(2-methoxyethoxy)ethoxymethyl]-1,2-oxazole
CID 142385870
ethane;3-[2-(3-piperazin-1-ylpropoxy)ethyl]-1,2-oxazole
CID 142385867
3-[2-(3-methoxypropoxy)ethoxymethyl]-1,2-oxazole
CID 134579597
3-[2-(3-piperazin-1-ylpropoxy)ethyl]-1,2-oxazole
CID 142385868
1-(5-ethoxypentyl)-4-methylpiperazine
CID 155702550
3-[2-[2-(4-phenylpiperazin-1-yl)ethoxy]ethyl]-1,2-oxazole
CID 142385764
ethane;3-[3-(2-methoxyethoxy)propyl]-1,2-oxazole
CID 142597175
3-(5-piperazin-1-ylpentyl)-1,2-oxazole;propane
CID 153330321
1-methyl-4-(2-phenylmethoxyethyl)piperazine
CID 13309119

Frequently Asked Questions

What is the IUPAC name of ethane;3-[4-(4-methylpiperazin-1-yl)butoxymethyl]-1,2-oxazole?
The IUPAC name of ethane;3-[4-(4-methylpiperazin-1-yl)butoxymethyl]-1,2-oxazole (CID 142390718) is ethane;3-[4-(4-methylpiperazin-1-yl)butoxymethyl]-1,2-oxazole.
What is the SMILES notation for ethane;3-[4-(4-methylpiperazin-1-yl)butoxymethyl]-1,2-oxazole?
The canonical SMILES for ethane;3-[4-(4-methylpiperazin-1-yl)butoxymethyl]-1,2-oxazole is CC.CN1CCN(CCCCOCc2ccon2)CC1.
What is the InChIKey of ethane;3-[4-(4-methylpiperazin-1-yl)butoxymethyl]-1,2-oxazole?
The InChIKey is IFDBAOLCIYYQBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2.C2H6/c1-15-6-8-16(9-7-15)5-2-3-10-17-12-13-4-11-18-14-13;1-2/h4,11H,2-3,5-10,12H2,1H3;1-2H3.
What are the key properties of ethane;3-[4-(4-methylpiperazin-1-yl)butoxymethyl]-1,2-oxazole?
ethane;3-[4-(4-methylpiperazin-1-yl)butoxymethyl]-1,2-oxazole has a molecular weight of 283.42 g/mol, XLogP of 2.24, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-[4-(4-methylpiperazin-1-yl)butoxymethyl]-1,2-oxazole is sourced from PubChem (CID 142390718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).