[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-(oxolan-2-yl)methanone

C13H20N4O3 — CID 110419164

IUPAC[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-(oxolan-2-yl)methanone
SMILESCCc1nnc(N2CCN(C(=O)C3CCCO3)CC2)o1
InChIInChI=1S/C13H20N4O3/c1-2-11-14-15-13(20-11)17-7-5-16(6-8-17)12(18)10-4-3-9-19-10/h10H,2-9H2,1H3
InChIKeyGKZPJUKUQVWQQY-UHFFFAOYSA-N
MW280.33 g/mol
LogP0.46
Rot. Bonds3

About [4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-(oxolan-2-yl)methanone

[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-(oxolan-2-yl)methanone (PubChem CID 110419164) has the molecular formula C13H20N4O3 and a molecular weight of 280.33 g/mol. Its IUPAC name is [4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-(oxolan-2-yl)methanone.

Molecular Properties

Compound Name[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-(oxolan-2-yl)methanone
PubChem CID110419164
Molecular FormulaC13H20N4O3
Molecular Weight280.33 g/mol
Exact Mass280.15
IUPAC Name[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-(oxolan-2-yl)methanone
SMILESCCc1nnc(N2CCN(C(=O)C3CCCO3)CC2)o1
InChIInChI=1S/C13H20N4O3/c1-2-11-14-15-13(20-11)17-7-5-16(6-8-17)12(18)10-4-3-9-19-10/h10H,2-9H2,1H3
InChIKeyGKZPJUKUQVWQQY-UHFFFAOYSA-N
XLogP0.46
TPSA71.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(5-methyl-1,3,4-oxadiazol-2-yl)-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]propan-1-one
CID 110396133
[4-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 93074923
oxolan-2-yl-[4-(4-pyrrolidin-1-ylphenyl)piperazin-1-yl]methanone
CID 113078894
[4-(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 71998117
4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-amine
CID 118964286
ethane;1-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanone
CID 143678083
[4-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 95785288
[4-(5-methyl-1,3,4-oxadiazole-2-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 110395983
cyclooctyl-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]methanone
CID 97216636
[4-(6-chloropyrazin-2-yl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 95243006
[4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-(oxolan-2-yl)methanone
CID 121053900
1-[4-[1-(oxolane-2-carbonyl)piperidine-4-carbonyl]piperazin-1-yl]ethanone
CID 113003827

Frequently Asked Questions

What is the IUPAC name of [4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-(oxolan-2-yl)methanone?
The IUPAC name of [4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-(oxolan-2-yl)methanone (CID 110419164) is [4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-(oxolan-2-yl)methanone.
What is the SMILES notation for [4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-(oxolan-2-yl)methanone?
The canonical SMILES for [4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-(oxolan-2-yl)methanone is CCc1nnc(N2CCN(C(=O)C3CCCO3)CC2)o1.
What is the InChIKey of [4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-(oxolan-2-yl)methanone?
The InChIKey is GKZPJUKUQVWQQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3/c1-2-11-14-15-13(20-11)17-7-5-16(6-8-17)12(18)10-4-3-9-19-10/h10H,2-9H2,1H3.
What are the key properties of [4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-(oxolan-2-yl)methanone?
[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-(oxolan-2-yl)methanone has a molecular weight of 280.33 g/mol, XLogP of 0.46, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-(oxolan-2-yl)methanone is sourced from PubChem (CID 110419164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).