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

C14H20N4O2 — CID 114822777

IUPAC1-[5-(5-methylfuran-3-yl)-1,2,4-oxadiazol-3-yl]-2-piperidin-1-ylethanamine
SMILESCc1cc(-c2nc(C(N)CN3CCCCC3)no2)co1
InChIInChI=1S/C14H20N4O2/c1-10-7-11(9-19-10)14-16-13(17-20-14)12(15)8-18-5-3-2-4-6-18/h7,9,12H,2-6,8,15H2,1H3
InChIKeyYSZGSZXYEPBQRS-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.12
Rot. Bonds4

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

1-[5-(5-methylfuran-3-yl)-1,2,4-oxadiazol-3-yl]-2-piperidin-1-ylethanamine (PubChem CID 114822777) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 1-[5-(5-methylfuran-3-yl)-1,2,4-oxadiazol-3-yl]-2-piperidin-1-ylethanamine.

Molecular Properties

Compound Name1-[5-(5-methylfuran-3-yl)-1,2,4-oxadiazol-3-yl]-2-piperidin-1-ylethanamine
PubChem CID114822777
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name1-[5-(5-methylfuran-3-yl)-1,2,4-oxadiazol-3-yl]-2-piperidin-1-ylethanamine
SMILESCc1cc(-c2nc(C(N)CN3CCCCC3)no2)co1
InChIInChI=1S/C14H20N4O2/c1-10-7-11(9-19-10)14-16-13(17-20-14)12(15)8-18-5-3-2-4-6-18/h7,9,12H,2-6,8,15H2,1H3
InChIKeyYSZGSZXYEPBQRS-UHFFFAOYSA-N
XLogP2.12
TPSA81.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]-2-piperidin-1-ylethanamine
CID 104636055
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-(3,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]-2-pyrrolidin-1-ylethanamine
CID 104635686
1-[5-(2-chlorofuran-3-yl)-1,2,4-oxadiazol-3-yl]-2-piperidin-1-ylethanamine
CID 106689497
1-[5-(1-methylimidazol-4-yl)-1,2,4-oxadiazol-3-yl]-2-pyrrolidin-1-ylethanamine
CID 107974506
2-piperidin-1-yl-1-[5-(1H-pyrazol-5-yl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 104635977
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-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]-2-pyrrolidin-1-ylethanamine
CID 103121999
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 1-[5-(5-methylfuran-3-yl)-1,2,4-oxadiazol-3-yl]-2-piperidin-1-ylethanamine?
The IUPAC name of 1-[5-(5-methylfuran-3-yl)-1,2,4-oxadiazol-3-yl]-2-piperidin-1-ylethanamine (CID 114822777) is 1-[5-(5-methylfuran-3-yl)-1,2,4-oxadiazol-3-yl]-2-piperidin-1-ylethanamine.
What is the SMILES notation for 1-[5-(5-methylfuran-3-yl)-1,2,4-oxadiazol-3-yl]-2-piperidin-1-ylethanamine?
The canonical SMILES for 1-[5-(5-methylfuran-3-yl)-1,2,4-oxadiazol-3-yl]-2-piperidin-1-ylethanamine is Cc1cc(-c2nc(C(N)CN3CCCCC3)no2)co1.
What is the InChIKey of 1-[5-(5-methylfuran-3-yl)-1,2,4-oxadiazol-3-yl]-2-piperidin-1-ylethanamine?
The InChIKey is YSZGSZXYEPBQRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-10-7-11(9-19-10)14-16-13(17-20-14)12(15)8-18-5-3-2-4-6-18/h7,9,12H,2-6,8,15H2,1H3.
What are the key properties of 1-[5-(5-methylfuran-3-yl)-1,2,4-oxadiazol-3-yl]-2-piperidin-1-ylethanamine?
1-[5-(5-methylfuran-3-yl)-1,2,4-oxadiazol-3-yl]-2-piperidin-1-ylethanamine has a molecular weight of 276.34 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(5-methylfuran-3-yl)-1,2,4-oxadiazol-3-yl]-2-piperidin-1-ylethanamine is sourced from PubChem (CID 114822777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).