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

C18H28N4O3 — CID 95294032

IUPAC(1S)-2-[4-[(1S)-1-(3-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-1-(furan-2-yl)ethanol
SMILESCCCCc1noc([C@H](C)N2CCN(C[C@H](O)c3ccco3)CC2)n1
InChIInChI=1S/C18H28N4O3/c1-3-4-7-17-19-18(25-20-17)14(2)22-10-8-21(9-11-22)13-15(23)16-6-5-12-24-16/h5-6,12,14-15,23H,3-4,7-11,13H2,1-2H3/t14-,15-/m0/s1
InChIKeyCRCUUZSVLLQLAV-GJZGRUSLSA-N
MW348.45 g/mol
LogP2.42
Rot. Bonds8

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

(1S)-2-[4-[(1S)-1-(3-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-1-(furan-2-yl)ethanol (PubChem CID 95294032) has the molecular formula C18H28N4O3 and a molecular weight of 348.45 g/mol. Its IUPAC name is (1S)-2-[4-[(1S)-1-(3-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-1-(furan-2-yl)ethanol.

Molecular Properties

Compound Name(1S)-2-[4-[(1S)-1-(3-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-1-(furan-2-yl)ethanol
PubChem CID95294032
Molecular FormulaC18H28N4O3
Molecular Weight348.45 g/mol
Exact Mass348.22
IUPAC Name(1S)-2-[4-[(1S)-1-(3-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-1-(furan-2-yl)ethanol
SMILESCCCCc1noc([C@H](C)N2CCN(C[C@H](O)c3ccco3)CC2)n1
InChIInChI=1S/C18H28N4O3/c1-3-4-7-17-19-18(25-20-17)14(2)22-10-8-21(9-11-22)13-15(23)16-6-5-12-24-16/h5-6,12,14-15,23H,3-4,7-11,13H2,1-2H3/t14-,15-/m0/s1
InChIKeyCRCUUZSVLLQLAV-GJZGRUSLSA-N
XLogP2.42
TPSA78.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Launch Full Analysis

Related Compounds

(1S)-2-[4-[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-1-phenylethanol
CID 95315467
(2R)-1-[4-[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-3-phenylpropan-2-ol
CID 97191698
3-ethyl-5-[(1R)-1-[4-(2-methylpropyl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole
CID 95285931
2-[4-[(1S)-1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]ethanol
CID 94775707
5-[(1R)-1-(4-ethylpiperazin-1-yl)ethyl]-3-propyl-1,2,4-oxadiazole
CID 94000629
3-ethyl-5-[1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole
CID 56684956
[4-[1-(3-butyl-1,2,4-oxadiazol-5-yl)ethyl]-1,4-diazepan-1-yl]-phenylmethanone
CID 78849039
3-propyl-5-[(1S)-1-(4-propylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole
CID 95285928
1-(furan-2-yl)-2-pyrrolidin-1-ylethanol
CID 55212016
(2S)-1-[4-[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-2-phenylpropan-2-ol
CID 95299369
1-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]butan-2-ol
CID 111489338
1-[4-[(1R)-1-(3-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-2-methoxyethanone
CID 94028365

Frequently Asked Questions

What is the IUPAC name of (1S)-2-[4-[(1S)-1-(3-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-1-(furan-2-yl)ethanol?
The IUPAC name of (1S)-2-[4-[(1S)-1-(3-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-1-(furan-2-yl)ethanol (CID 95294032) is (1S)-2-[4-[(1S)-1-(3-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-1-(furan-2-yl)ethanol.
What is the SMILES notation for (1S)-2-[4-[(1S)-1-(3-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-1-(furan-2-yl)ethanol?
The canonical SMILES for (1S)-2-[4-[(1S)-1-(3-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-1-(furan-2-yl)ethanol is CCCCc1noc([C@H](C)N2CCN(C[C@H](O)c3ccco3)CC2)n1.
What is the InChIKey of (1S)-2-[4-[(1S)-1-(3-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-1-(furan-2-yl)ethanol?
The InChIKey is CRCUUZSVLLQLAV-GJZGRUSLSA-N. The full InChI is InChI=1S/C18H28N4O3/c1-3-4-7-17-19-18(25-20-17)14(2)22-10-8-21(9-11-22)13-15(23)16-6-5-12-24-16/h5-6,12,14-15,23H,3-4,7-11,13H2,1-2H3/t14-,15-/m0/s1.
What are the key properties of (1S)-2-[4-[(1S)-1-(3-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-1-(furan-2-yl)ethanol?
(1S)-2-[4-[(1S)-1-(3-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-1-(furan-2-yl)ethanol has a molecular weight of 348.45 g/mol, XLogP of 2.42, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-[4-[(1S)-1-(3-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-1-(furan-2-yl)ethanol is sourced from PubChem (CID 95294032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).