2-[4-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]butan-1-ol

C15H28N4O3 — CID 111489365

IUPAC2-[4-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]butan-1-ol
SMILESCCOC(C)c1noc(CN2CCN(C(CC)CO)CC2)n1
InChIInChI=1S/C15H28N4O3/c1-4-13(11-20)19-8-6-18(7-9-19)10-14-16-15(17-22-14)12(3)21-5-2/h12-13,20H,4-11H2,1-3H3
InChIKeyLNEFURJTUULDGA-UHFFFAOYSA-N
MW312.41 g/mol
LogP1.06
Rot. Bonds8

About 2-[4-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]butan-1-ol

2-[4-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]butan-1-ol (PubChem CID 111489365) has the molecular formula C15H28N4O3 and a molecular weight of 312.41 g/mol. Its IUPAC name is 2-[4-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]butan-1-ol.

Molecular Properties

Compound Name2-[4-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]butan-1-ol
PubChem CID111489365
Molecular FormulaC15H28N4O3
Molecular Weight312.41 g/mol
Exact Mass312.22
IUPAC Name2-[4-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]butan-1-ol
SMILESCCOC(C)c1noc(CN2CCN(C(CC)CO)CC2)n1
InChIInChI=1S/C15H28N4O3/c1-4-13(11-20)19-8-6-18(7-9-19)10-14-16-15(17-22-14)12(3)21-5-2/h12-13,20H,4-11H2,1-3H3
InChIKeyLNEFURJTUULDGA-UHFFFAOYSA-N
XLogP1.06
TPSA74.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[4-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]butan-1-ol with MolForge

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Related Compounds

3-(1-ethoxyethyl)-5-[[4-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-1,4-diazepan-1-yl]methyl]-1,2,4-oxadiazole
CID 166210681
1-[4-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-2-methylpropan-2-ol
CID 111434599
2-[4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]butan-1-ol
CID 111489691
5-[[4-(2-chloroprop-2-enyl)piperazin-1-yl]methyl]-3-(1-ethoxyethyl)-1,2,4-oxadiazole
CID 71988766
(2R)-2-amino-1-[4-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]propan-1-one;dihydrochloride
CID 119896128
(3S)-1-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-ol
CID 111434623
3-[(1S)-1-ethoxyethyl]-5-[(4-pyridin-4-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
CID 97029336
3-[(1R)-1-ethoxyethyl]-5-[[4-[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-1,4-diazepan-1-yl]methyl]-1,2,4-oxadiazole
CID 95902837
(2S)-2-amino-1-[4-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-3,3-dimethylbutan-1-one
CID 119896131
5-[[4-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methyl]-1,3-thiazol-2-amine
CID 120901282
(3,5-dimethyl-1,2-oxazol-4-yl)-[4-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methanone
CID 136528767
3-[4-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-1-piperazin-1-ylpropan-1-one;dihydrochloride
CID 120982913

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]butan-1-ol?
The IUPAC name of 2-[4-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]butan-1-ol (CID 111489365) is 2-[4-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]butan-1-ol.
What is the SMILES notation for 2-[4-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]butan-1-ol?
The canonical SMILES for 2-[4-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]butan-1-ol is CCOC(C)c1noc(CN2CCN(C(CC)CO)CC2)n1.
What is the InChIKey of 2-[4-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]butan-1-ol?
The InChIKey is LNEFURJTUULDGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O3/c1-4-13(11-20)19-8-6-18(7-9-19)10-14-16-15(17-22-14)12(3)21-5-2/h12-13,20H,4-11H2,1-3H3.
What are the key properties of 2-[4-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]butan-1-ol?
2-[4-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]butan-1-ol has a molecular weight of 312.41 g/mol, XLogP of 1.06, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]butan-1-ol is sourced from PubChem (CID 111489365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).