ethane;3-[6-(4-methylpiperazin-1-yl)hexyl]-1,2-oxazole

C16H31N3O — CID 142386109

IUPACethane;3-[6-(4-methylpiperazin-1-yl)hexyl]-1,2-oxazole
SMILESCC.CN1CCN(CCCCCCc2ccon2)CC1
InChIInChI=1S/C14H25N3O.C2H6/c1-16-9-11-17(12-10-16)8-5-3-2-4-6-14-7-13-18-15-14;1-2/h7,13H,2-6,8-12H2,1H3;1-2H3
InChIKeyXMZDHHREATWKCC-UHFFFAOYSA-N
MW281.44 g/mol
LogP3.05
Rot. Bonds7

About ethane;3-[6-(4-methylpiperazin-1-yl)hexyl]-1,2-oxazole

ethane;3-[6-(4-methylpiperazin-1-yl)hexyl]-1,2-oxazole (PubChem CID 142386109) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is ethane;3-[6-(4-methylpiperazin-1-yl)hexyl]-1,2-oxazole.

Molecular Properties

Compound Nameethane;3-[6-(4-methylpiperazin-1-yl)hexyl]-1,2-oxazole
PubChem CID142386109
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC Nameethane;3-[6-(4-methylpiperazin-1-yl)hexyl]-1,2-oxazole
SMILESCC.CN1CCN(CCCCCCc2ccon2)CC1
InChIInChI=1S/C14H25N3O.C2H6/c1-16-9-11-17(12-10-16)8-5-3-2-4-6-14-7-13-18-15-14;1-2/h7,13H,2-6,8-12H2,1H3;1-2H3
InChIKeyXMZDHHREATWKCC-UHFFFAOYSA-N
XLogP3.05
TPSA32.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 53.05
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

3-[2-(4-methylpiperazin-1-yl)ethyl]-1,2-oxazole
CID 142367397
3-(5-piperazin-1-ylpentyl)-1,2-oxazole;propane
CID 153330321
ethane;3-[4-(4-methylpiperazin-1-yl)butoxymethyl]-1,2-oxazole
CID 142390718
ethane;3-[2-(3-piperazin-1-ylpropoxy)ethyl]-1,2-oxazole
CID 142385867
1-[4-(furan-3-yl)butyl]-4-methylpiperazine
CID 59675456
3-[2-(3-piperazin-1-ylpropoxy)ethyl]-1,2-oxazole
CID 142385868
ethane;3-[2-(4-methyl-2,3-dihydropyrazin-1-yl)ethyl]-1,2-oxazole
CID 142597143
4-(1,2-oxazol-3-yl)butan-1-amine
CID 22024725
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-(3-fluoropropyl)-1,2-oxazole
CID 174850907
ethane;3-[2-(4-phenylpiperazin-1-yl)ethoxymethyl]-1,2-oxazole
CID 142385806

Frequently Asked Questions

What is the IUPAC name of ethane;3-[6-(4-methylpiperazin-1-yl)hexyl]-1,2-oxazole?
The IUPAC name of ethane;3-[6-(4-methylpiperazin-1-yl)hexyl]-1,2-oxazole (CID 142386109) is ethane;3-[6-(4-methylpiperazin-1-yl)hexyl]-1,2-oxazole.
What is the SMILES notation for ethane;3-[6-(4-methylpiperazin-1-yl)hexyl]-1,2-oxazole?
The canonical SMILES for ethane;3-[6-(4-methylpiperazin-1-yl)hexyl]-1,2-oxazole is CC.CN1CCN(CCCCCCc2ccon2)CC1.
What is the InChIKey of ethane;3-[6-(4-methylpiperazin-1-yl)hexyl]-1,2-oxazole?
The InChIKey is XMZDHHREATWKCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O.C2H6/c1-16-9-11-17(12-10-16)8-5-3-2-4-6-14-7-13-18-15-14;1-2/h7,13H,2-6,8-12H2,1H3;1-2H3.
What are the key properties of ethane;3-[6-(4-methylpiperazin-1-yl)hexyl]-1,2-oxazole?
ethane;3-[6-(4-methylpiperazin-1-yl)hexyl]-1,2-oxazole has a molecular weight of 281.44 g/mol, XLogP of 3.05, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-[6-(4-methylpiperazin-1-yl)hexyl]-1,2-oxazole is sourced from PubChem (CID 142386109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).