1-[5-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-3-yl]-2-piperidin-1-ylethanamine

C13H20N6O — CID 103511982

IUPAC1-[5-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-3-yl]-2-piperidin-1-ylethanamine
SMILESCn1cncc1-c1nc(C(N)CN2CCCCC2)no1
InChIInChI=1S/C13H20N6O/c1-18-9-15-7-11(18)13-16-12(17-20-13)10(14)8-19-5-3-2-4-6-19/h7,9-10H,2-6,8,14H2,1H3
InChIKeyTWFMWFHHPVZNKO-UHFFFAOYSA-N
MW276.34 g/mol
LogP0.96
Rot. Bonds4

About 1-[5-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-3-yl]-2-piperidin-1-ylethanamine

1-[5-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-3-yl]-2-piperidin-1-ylethanamine (PubChem CID 103511982) has the molecular formula C13H20N6O and a molecular weight of 276.34 g/mol. Its IUPAC name is 1-[5-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-3-yl]-2-piperidin-1-ylethanamine.

Molecular Properties

Compound Name1-[5-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-3-yl]-2-piperidin-1-ylethanamine
PubChem CID103511982
Molecular FormulaC13H20N6O
Molecular Weight276.34 g/mol
Exact Mass276.17
IUPAC Name1-[5-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-3-yl]-2-piperidin-1-ylethanamine
SMILESCn1cncc1-c1nc(C(N)CN2CCCCC2)no1
InChIInChI=1S/C13H20N6O/c1-18-9-15-7-11(18)13-16-12(17-20-13)10(14)8-19-5-3-2-4-6-19/h7,9-10H,2-6,8,14H2,1H3
InChIKeyTWFMWFHHPVZNKO-UHFFFAOYSA-N
XLogP0.96
TPSA86.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]-2-piperidin-1-ylethanamine
CID 104636055
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
2-methyl-1-[5-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 103511946
1-(5-methyl-1,2,4-oxadiazol-3-yl)-2-piperidin-1-ylethanamine
CID 104635946
2-piperidin-1-yl-1-[5-(1H-pyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 136754748
1-[5-(5-methylfuran-3-yl)-1,2,4-oxadiazol-3-yl]-2-piperidin-1-ylethanamine
CID 114822777
2-piperidin-1-yl-1-[5-(1H-pyrazol-5-yl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 104635977
1-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-piperidin-1-ylethanamine
CID 104635994
1-[5-(2-chlorofuran-3-yl)-1,2,4-oxadiazol-3-yl]-2-piperidin-1-ylethanamine
CID 106689497
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

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-3-yl]-2-piperidin-1-ylethanamine?
The IUPAC name of 1-[5-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-3-yl]-2-piperidin-1-ylethanamine (CID 103511982) is 1-[5-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-3-yl]-2-piperidin-1-ylethanamine.
What is the SMILES notation for 1-[5-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-3-yl]-2-piperidin-1-ylethanamine?
The canonical SMILES for 1-[5-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-3-yl]-2-piperidin-1-ylethanamine is Cn1cncc1-c1nc(C(N)CN2CCCCC2)no1.
What is the InChIKey of 1-[5-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-3-yl]-2-piperidin-1-ylethanamine?
The InChIKey is TWFMWFHHPVZNKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6O/c1-18-9-15-7-11(18)13-16-12(17-20-13)10(14)8-19-5-3-2-4-6-19/h7,9-10H,2-6,8,14H2,1H3.
What are the key properties of 1-[5-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-3-yl]-2-piperidin-1-ylethanamine?
1-[5-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-3-yl]-2-piperidin-1-ylethanamine has a molecular weight of 276.34 g/mol, XLogP of 0.96, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-3-yl]-2-piperidin-1-ylethanamine is sourced from PubChem (CID 103511982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).