2-[4-[(1S)-1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]ethanol

C14H20N4O3 — CID 94775707

IUPAC2-[4-[(1S)-1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]ethanol
SMILESC[C@@H](c1nc(-c2ccco2)no1)N1CCN(CCO)CC1
InChIInChI=1S/C14H20N4O3/c1-11(18-6-4-17(5-7-18)8-9-19)14-15-13(16-21-14)12-3-2-10-20-12/h2-3,10-11,19H,4-9H2,1H3/t11-/m0/s1
InChIKeyJVQDXYQCEMIXLA-NSHDSACASA-N
MW292.34 g/mol
LogP1.00
Rot. Bonds5

About 2-[4-[(1S)-1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]ethanol

2-[4-[(1S)-1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]ethanol (PubChem CID 94775707) has the molecular formula C14H20N4O3 and a molecular weight of 292.34 g/mol. Its IUPAC name is 2-[4-[(1S)-1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[(1S)-1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]ethanol
PubChem CID94775707
Molecular FormulaC14H20N4O3
Molecular Weight292.34 g/mol
Exact Mass292.15
IUPAC Name2-[4-[(1S)-1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]ethanol
SMILESC[C@@H](c1nc(-c2ccco2)no1)N1CCN(CCO)CC1
InChIInChI=1S/C14H20N4O3/c1-11(18-6-4-17(5-7-18)8-9-19)14-15-13(16-21-14)12-3-2-10-20-12/h2-3,10-11,19H,4-9H2,1H3/t11-/m0/s1
InChIKeyJVQDXYQCEMIXLA-NSHDSACASA-N
XLogP1.00
TPSA78.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1S)-1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[(1S)-1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]ethanol (CID 94775707) is 2-[4-[(1S)-1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[(1S)-1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[(1S)-1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]ethanol is C[C@@H](c1nc(-c2ccco2)no1)N1CCN(CCO)CC1.
What is the InChIKey of 2-[4-[(1S)-1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]ethanol?
The InChIKey is JVQDXYQCEMIXLA-NSHDSACASA-N. The full InChI is InChI=1S/C14H20N4O3/c1-11(18-6-4-17(5-7-18)8-9-19)14-15-13(16-21-14)12-3-2-10-20-12/h2-3,10-11,19H,4-9H2,1H3/t11-/m0/s1.
What are the key properties of 2-[4-[(1S)-1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]ethanol?
2-[4-[(1S)-1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]ethanol has a molecular weight of 292.34 g/mol, XLogP of 1.00, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1S)-1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]ethanol is sourced from PubChem (CID 94775707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).