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

C13H24N4O2 — CID 111489691

IUPAC2-[4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]butan-1-ol
SMILESCCc1noc(CN2CCN(C(CC)CO)CC2)n1
InChIInChI=1S/C13H24N4O2/c1-3-11(10-18)17-7-5-16(6-8-17)9-13-14-12(4-2)15-19-13/h11,18H,3-10H2,1-2H3
InChIKeyQNCNDMLUYDRTPG-UHFFFAOYSA-N
MW268.36 g/mol
LogP0.52
Rot. Bonds6

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

2-[4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]butan-1-ol (PubChem CID 111489691) has the molecular formula C13H24N4O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-[4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]butan-1-ol.

Molecular Properties

Compound Name2-[4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]butan-1-ol
PubChem CID111489691
Molecular FormulaC13H24N4O2
Molecular Weight268.36 g/mol
Exact Mass268.19
IUPAC Name2-[4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]butan-1-ol
SMILESCCc1noc(CN2CCN(C(CC)CO)CC2)n1
InChIInChI=1S/C13H24N4O2/c1-3-11(10-18)17-7-5-16(6-8-17)9-13-14-12(4-2)15-19-13/h11,18H,3-10H2,1-2H3
InChIKeyQNCNDMLUYDRTPG-UHFFFAOYSA-N
XLogP0.52
TPSA65.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]butan-1-ol
CID 111489365
2-[4-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]ethanol
CID 47020572
N-[[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]methyl]-2-methylpropan-1-amine
CID 63849645
3-ethyl-5-[[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]methyl]-1,2,4-oxadiazole
CID 51075932
1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106984320
(2R)-1-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]butan-2-ol
CID 111488176
2-[4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-N-(3-fluorophenyl)propanamide
CID 55843314
2-[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]oxyacetic acid
CID 63903585
2-[4-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]butan-1-ol
CID 111489707
3-ethyl-5-[[4-(quinolin-8-ylmethyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 56811286
2-[4-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]butan-1-ol
CID 111489708
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

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]butan-1-ol?
The IUPAC name of 2-[4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]butan-1-ol (CID 111489691) is 2-[4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]butan-1-ol.
What is the SMILES notation for 2-[4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]butan-1-ol?
The canonical SMILES for 2-[4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]butan-1-ol is CCc1noc(CN2CCN(C(CC)CO)CC2)n1.
What is the InChIKey of 2-[4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]butan-1-ol?
The InChIKey is QNCNDMLUYDRTPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2/c1-3-11(10-18)17-7-5-16(6-8-17)9-13-14-12(4-2)15-19-13/h11,18H,3-10H2,1-2H3.
What are the key properties of 2-[4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]butan-1-ol?
2-[4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]butan-1-ol has a molecular weight of 268.36 g/mol, XLogP of 0.52, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]butan-1-ol is sourced from PubChem (CID 111489691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).