2-[1-[[5-(furan-3-yl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-2-yl]ethanol

C14H19N3O3 — CID 111111627

IUPAC2-[1-[[5-(furan-3-yl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-2-yl]ethanol
SMILESOCCC1CCCCN1Cc1noc(-c2ccoc2)n1
InChIInChI=1S/C14H19N3O3/c18-7-4-12-3-1-2-6-17(12)9-13-15-14(20-16-13)11-5-8-19-10-11/h5,8,10,12,18H,1-4,6-7,9H2
InChIKeyJNIBLYBLXFBOLF-UHFFFAOYSA-N
MW277.32 g/mol
LogP2.07
Rot. Bonds5

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

2-[1-[[5-(furan-3-yl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-2-yl]ethanol (PubChem CID 111111627) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 2-[1-[[5-(furan-3-yl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-2-yl]ethanol.

Molecular Properties

Compound Name2-[1-[[5-(furan-3-yl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-2-yl]ethanol
PubChem CID111111627
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name2-[1-[[5-(furan-3-yl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-2-yl]ethanol
SMILESOCCC1CCCCN1Cc1noc(-c2ccoc2)n1
InChIInChI=1S/C14H19N3O3/c18-7-4-12-3-1-2-6-17(12)9-13-15-14(20-16-13)11-5-8-19-10-11/h5,8,10,12,18H,1-4,6-7,9H2
InChIKeyJNIBLYBLXFBOLF-UHFFFAOYSA-N
XLogP2.07
TPSA75.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-[[5-(furan-3-yl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-2-yl]-1-phenylethanol
CID 111490204
2-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-yl]ethanol
CID 62020461
2-[1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-yl]ethanol
CID 62021392
[(2S)-1-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-2-yl]methanol
CID 79028528
[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]azepan-2-yl]methanol
CID 116637274
5-(furan-3-yl)-3-propyl-1,2,4-oxadiazole
CID 130708265
2-[1-[(5-methyl-1,2-oxazol-4-yl)methyl]piperidin-2-yl]ethanol
CID 121173951
2-(furan-3-yl)-5-methyl-4-[[2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methyl]-1,3-oxazole
CID 45194451
[1-[[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-2-yl]methanamine
CID 115312732
2-[1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]piperidin-2-yl]ethanol
CID 60690233
1-[1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-yl]ethanamine
CID 63255849
2-[1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]azepan-2-yl]ethanol
CID 126805664

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[5-(furan-3-yl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-2-yl]ethanol?
The IUPAC name of 2-[1-[[5-(furan-3-yl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-2-yl]ethanol (CID 111111627) is 2-[1-[[5-(furan-3-yl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-2-yl]ethanol.
What is the SMILES notation for 2-[1-[[5-(furan-3-yl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-2-yl]ethanol?
The canonical SMILES for 2-[1-[[5-(furan-3-yl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-2-yl]ethanol is OCCC1CCCCN1Cc1noc(-c2ccoc2)n1.
What is the InChIKey of 2-[1-[[5-(furan-3-yl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-2-yl]ethanol?
The InChIKey is JNIBLYBLXFBOLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c18-7-4-12-3-1-2-6-17(12)9-13-15-14(20-16-13)11-5-8-19-10-11/h5,8,10,12,18H,1-4,6-7,9H2.
What are the key properties of 2-[1-[[5-(furan-3-yl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-2-yl]ethanol?
2-[1-[[5-(furan-3-yl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-2-yl]ethanol has a molecular weight of 277.32 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[5-(furan-3-yl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-2-yl]ethanol is sourced from PubChem (CID 111111627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).