1-[3-(1-methylpiperidin-2-yl)-1,2,4-oxadiazol-5-yl]ethanol

C10H17N3O2 — CID 115079949

IUPAC1-[3-(1-methylpiperidin-2-yl)-1,2,4-oxadiazol-5-yl]ethanol
SMILESCC(O)c1nc(C2CCCCN2C)no1
InChIInChI=1S/C10H17N3O2/c1-7(14)10-11-9(12-15-10)8-5-3-4-6-13(8)2/h7-8,14H,3-6H2,1-2H3
InChIKeyXSTDQDJUEMQUAD-UHFFFAOYSA-N
MW211.26 g/mol
LogP1.28
Rot. Bonds2

About 1-[3-(1-methylpiperidin-2-yl)-1,2,4-oxadiazol-5-yl]ethanol

1-[3-(1-methylpiperidin-2-yl)-1,2,4-oxadiazol-5-yl]ethanol (PubChem CID 115079949) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 1-[3-(1-methylpiperidin-2-yl)-1,2,4-oxadiazol-5-yl]ethanol.

Molecular Properties

Compound Name1-[3-(1-methylpiperidin-2-yl)-1,2,4-oxadiazol-5-yl]ethanol
PubChem CID115079949
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name1-[3-(1-methylpiperidin-2-yl)-1,2,4-oxadiazol-5-yl]ethanol
SMILESCC(O)c1nc(C2CCCCN2C)no1
InChIInChI=1S/C10H17N3O2/c1-7(14)10-11-9(12-15-10)8-5-3-4-6-13(8)2/h7-8,14H,3-6H2,1-2H3
InChIKeyXSTDQDJUEMQUAD-UHFFFAOYSA-N
XLogP1.28
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(1-methylpiperidin-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-ol
CID 115080267
(1S)-1-[3-(thian-2-yl)-1,2,4-oxadiazol-5-yl]ethanol
CID 80637584
(1S)-1-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 66263723
(1S)-3-amino-1-[3-(1,4-dimethyl-1,4-diazepan-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-ol
CID 107837212
1-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 107924492
2-[3-(1-methylpyrrolidin-2-yl)-1,2,4-oxadiazol-5-yl]acetic acid
CID 115081792
3-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]pentan-2-ol
CID 79666639
1-cyclopropyl-5-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)azepan-1-yl]pentane-1,5-dione
CID 166235513
4,6-dimethyl-2-[(2S)-1-methylpiperidin-2-yl]pyrimidine
CID 95817120
N-[cyclopentyl-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
CID 120956540
[(2S)-1-methylpiperidin-2-yl]-[(3S)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 95765312
1-[3-(1,1-dioxothian-4-yl)-1,2,4-oxadiazol-5-yl]ethanol
CID 115079891

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-methylpiperidin-2-yl)-1,2,4-oxadiazol-5-yl]ethanol?
The IUPAC name of 1-[3-(1-methylpiperidin-2-yl)-1,2,4-oxadiazol-5-yl]ethanol (CID 115079949) is 1-[3-(1-methylpiperidin-2-yl)-1,2,4-oxadiazol-5-yl]ethanol.
What is the SMILES notation for 1-[3-(1-methylpiperidin-2-yl)-1,2,4-oxadiazol-5-yl]ethanol?
The canonical SMILES for 1-[3-(1-methylpiperidin-2-yl)-1,2,4-oxadiazol-5-yl]ethanol is CC(O)c1nc(C2CCCCN2C)no1.
What is the InChIKey of 1-[3-(1-methylpiperidin-2-yl)-1,2,4-oxadiazol-5-yl]ethanol?
The InChIKey is XSTDQDJUEMQUAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-7(14)10-11-9(12-15-10)8-5-3-4-6-13(8)2/h7-8,14H,3-6H2,1-2H3.
What are the key properties of 1-[3-(1-methylpiperidin-2-yl)-1,2,4-oxadiazol-5-yl]ethanol?
1-[3-(1-methylpiperidin-2-yl)-1,2,4-oxadiazol-5-yl]ethanol has a molecular weight of 211.26 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-methylpiperidin-2-yl)-1,2,4-oxadiazol-5-yl]ethanol is sourced from PubChem (CID 115079949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).