2-piperidin-1-yl-1-[5-(1H-pyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethanamine

C12H18N6O — CID 136754748

IUPAC2-piperidin-1-yl-1-[5-(1H-pyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethanamine
SMILESNC(CN1CCCCC1)c1noc(-c2cn[nH]c2)n1
InChIInChI=1S/C12H18N6O/c13-10(8-18-4-2-1-3-5-18)11-16-12(19-17-11)9-6-14-15-7-9/h6-7,10H,1-5,8,13H2,(H,14,15)
InChIKeyLVMLOSBUXLAKCO-UHFFFAOYSA-N
MW262.32 g/mol
LogP0.95
Rot. Bonds4

About 2-piperidin-1-yl-1-[5-(1H-pyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethanamine

2-piperidin-1-yl-1-[5-(1H-pyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethanamine (PubChem CID 136754748) has the molecular formula C12H18N6O and a molecular weight of 262.32 g/mol. Its IUPAC name is 2-piperidin-1-yl-1-[5-(1H-pyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethanamine.

Molecular Properties

Compound Name2-piperidin-1-yl-1-[5-(1H-pyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethanamine
PubChem CID136754748
Molecular FormulaC12H18N6O
Molecular Weight262.32 g/mol
Exact Mass262.15
IUPAC Name2-piperidin-1-yl-1-[5-(1H-pyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethanamine
SMILESNC(CN1CCCCC1)c1noc(-c2cn[nH]c2)n1
InChIInChI=1S/C12H18N6O/c13-10(8-18-4-2-1-3-5-18)11-16-12(19-17-11)9-6-14-15-7-9/h6-7,10H,1-5,8,13H2,(H,14,15)
InChIKeyLVMLOSBUXLAKCO-UHFFFAOYSA-N
XLogP0.95
TPSA96.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-piperidin-1-yl-1-[5-(1H-pyrazol-5-yl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 104635977
1-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]-2-piperidin-1-ylethanamine
CID 104636055
1-[5-(5-methylfuran-3-yl)-1,2,4-oxadiazol-3-yl]-2-piperidin-1-ylethanamine
CID 114822777
1-[5-(2-chlorofuran-3-yl)-1,2,4-oxadiazol-3-yl]-2-piperidin-1-ylethanamine
CID 106689497
1-[5-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-3-yl]-2-piperidin-1-ylethanamine
CID 103511982
1-[5-(2-chlorofuran-3-yl)-1,2,4-oxadiazol-3-yl]-2-pyrrolidin-1-ylethanamine
CID 106689495
1-[5-(3,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]-2-pyrrolidin-1-ylethanamine
CID 104635686
1-(5-methyl-1,2,4-oxadiazol-3-yl)-2-piperidin-1-ylethanamine
CID 104635946
1-[5-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]-2-pyrrolidin-1-ylethanamine
CID 103121999
1-[5-(1-methylimidazol-4-yl)-1,2,4-oxadiazol-3-yl]-2-pyrrolidin-1-ylethanamine
CID 107974506
1-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-piperidin-1-ylethanamine
CID 104635994
1-(5-ethoxy-1,2,4-oxadiazol-3-yl)-2-pyrrolidin-1-ylethanamine
CID 104635764

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-yl-1-[5-(1H-pyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethanamine?
The IUPAC name of 2-piperidin-1-yl-1-[5-(1H-pyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethanamine (CID 136754748) is 2-piperidin-1-yl-1-[5-(1H-pyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethanamine.
What is the SMILES notation for 2-piperidin-1-yl-1-[5-(1H-pyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethanamine?
The canonical SMILES for 2-piperidin-1-yl-1-[5-(1H-pyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethanamine is NC(CN1CCCCC1)c1noc(-c2cn[nH]c2)n1.
What is the InChIKey of 2-piperidin-1-yl-1-[5-(1H-pyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethanamine?
The InChIKey is LVMLOSBUXLAKCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6O/c13-10(8-18-4-2-1-3-5-18)11-16-12(19-17-11)9-6-14-15-7-9/h6-7,10H,1-5,8,13H2,(H,14,15).
What are the key properties of 2-piperidin-1-yl-1-[5-(1H-pyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethanamine?
2-piperidin-1-yl-1-[5-(1H-pyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethanamine has a molecular weight of 262.32 g/mol, XLogP of 0.95, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-yl-1-[5-(1H-pyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethanamine is sourced from PubChem (CID 136754748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).