2-[4-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]ethanol

C13H24N4O2 — CID 47020907

IUPAC2-[4-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]ethanol
SMILESCC(C)Cc1noc(CN2CCN(CCO)CC2)n1
InChIInChI=1S/C13H24N4O2/c1-11(2)9-12-14-13(19-15-12)10-17-5-3-16(4-6-17)7-8-18/h11,18H,3-10H2,1-2H3
InChIKeyMCMMCFNHWSPLBU-UHFFFAOYSA-N
MW268.36 g/mol
LogP0.38
Rot. Bonds6

About 2-[4-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]ethanol

2-[4-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]ethanol (PubChem CID 47020907) has the molecular formula C13H24N4O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-[4-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]ethanol
PubChem CID47020907
Molecular FormulaC13H24N4O2
Molecular Weight268.36 g/mol
Exact Mass268.19
IUPAC Name2-[4-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]ethanol
SMILESCC(C)Cc1noc(CN2CCN(CCO)CC2)n1
InChIInChI=1S/C13H24N4O2/c1-11(2)9-12-14-13(19-15-12)10-17-5-3-16(4-6-17)7-8-18/h11,18H,3-10H2,1-2H3
InChIKeyMCMMCFNHWSPLBU-UHFFFAOYSA-N
XLogP0.38
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 ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-((3-(Cyclopropylmethyl)-1,2,4-oxadiazol-5-yl)methyl)piperazin-1-yl)-N,N-dimethylacetamide
CID 16190695
1-(Cyclopropylmethyl)-4-{[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]methyl}piperazine
CID 16189877
Ethyl 4-{[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]methyl}-1-piperazinecarboxylate
CID 16190197
2-(Morpholin-4-yl)-1-(4-{[5-(propan-2-yl)-1,2,4-oxadiazol-3-yl]methyl}piperazin-1-yl)ethan-1-one
CID 47070099
Ethyl 4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperazine-1-carboxylate
CID 16191422
3-(2-Methylpropyl)-5-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
CID 30669511
4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N,N-dimethylpiperazine-1-carboxamide
CID 38132376
3-Ethyl-5-[1-(4-methylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole
CID 42946511
2-(4-((3-Propyl-1,2,4-oxadiazol-5-yl)methyl)piperazin-1-yl)ethan-1-ol
CID 45250157
Cyclopropyl-[4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone
CID 45805678
4-[[3-(2-Methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine
CID 45806304
2-[4-[1-(3-Propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]ethanol
CID 45807995

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]ethanol (CID 47020907) is 2-[4-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]ethanol is CC(C)Cc1noc(CN2CCN(CCO)CC2)n1.
What is the InChIKey of 2-[4-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]ethanol?
The InChIKey is MCMMCFNHWSPLBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2/c1-11(2)9-12-14-13(19-15-12)10-17-5-3-16(4-6-17)7-8-18/h11,18H,3-10H2,1-2H3.
What are the key properties of 2-[4-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]ethanol?
2-[4-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]ethanol has a molecular weight of 268.36 g/mol, XLogP of 0.38, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]ethanol is sourced from PubChem (CID 47020907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).