[4-ethyl-1-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-2-yl]methanamine

C15H22N4O2 — CID 103352935

IUPAC[4-ethyl-1-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-2-yl]methanamine
SMILESCCC1CCN(Cc2noc(-c3ccco3)n2)C(CN)C1
InChIInChI=1S/C15H22N4O2/c1-2-11-5-6-19(12(8-11)9-16)10-14-17-15(21-18-14)13-4-3-7-20-13/h3-4,7,11-12H,2,5-6,8-10,16H2,1H3
InChIKeyNBHIPWUOIXGYLL-UHFFFAOYSA-N
MW290.37 g/mol
LogP2.28
Rot. Bonds5

About [4-ethyl-1-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-2-yl]methanamine

[4-ethyl-1-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-2-yl]methanamine (PubChem CID 103352935) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is [4-ethyl-1-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-2-yl]methanamine.

Molecular Properties

Compound Name[4-ethyl-1-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-2-yl]methanamine
PubChem CID103352935
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name[4-ethyl-1-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-2-yl]methanamine
SMILESCCC1CCN(Cc2noc(-c3ccco3)n2)C(CN)C1
InChIInChI=1S/C15H22N4O2/c1-2-11-5-6-19(12(8-11)9-16)10-14-17-15(21-18-14)13-4-3-7-20-13/h3-4,7,11-12H,2,5-6,8-10,16H2,1H3
InChIKeyNBHIPWUOIXGYLL-UHFFFAOYSA-N
XLogP2.28
TPSA81.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [4-ethyl-1-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-2-yl]methanamine with MolForge

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Related Compounds

[4-ethyl-1-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-yl]methanamine
CID 103353164
3-[(2,5-diethylpiperazin-1-yl)methyl]-5-(furan-2-yl)-1,2,4-oxadiazole
CID 64978654
1-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-3-methylpiperidine-2-carboxylic acid
CID 107072214
[1-[(2,3-difluorophenyl)methyl]-4-ethylpiperidin-2-yl]methanamine
CID 103351610
3-[(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methyl]-5-(furan-2-yl)-1,2,4-oxadiazole
CID 66209326
[1-[(6-chloro-2-pyridinyl)methyl]-4-ethylpiperidin-2-yl]methanamine
CID 103353142
3-[(3,5-dimethylpiperazin-1-yl)methyl]-5-(furan-2-yl)-1,2,4-oxadiazole
CID 63874829
5-(furan-2-yl)-3-[(3-methylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
CID 65450165
1-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-4-methylpiperidin-4-ol
CID 80706784
2-[1-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]azetidin-3-yl]propanoic acid
CID 116684294
1-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-2-one
CID 75539105
[1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-2-yl]methanamine;hydrochloride
CID 119926914

Frequently Asked Questions

What is the IUPAC name of [4-ethyl-1-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-2-yl]methanamine?
The IUPAC name of [4-ethyl-1-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-2-yl]methanamine (CID 103352935) is [4-ethyl-1-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-2-yl]methanamine.
What is the SMILES notation for [4-ethyl-1-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-2-yl]methanamine?
The canonical SMILES for [4-ethyl-1-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-2-yl]methanamine is CCC1CCN(Cc2noc(-c3ccco3)n2)C(CN)C1.
What is the InChIKey of [4-ethyl-1-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-2-yl]methanamine?
The InChIKey is NBHIPWUOIXGYLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-2-11-5-6-19(12(8-11)9-16)10-14-17-15(21-18-14)13-4-3-7-20-13/h3-4,7,11-12H,2,5-6,8-10,16H2,1H3.
What are the key properties of [4-ethyl-1-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-2-yl]methanamine?
[4-ethyl-1-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-2-yl]methanamine has a molecular weight of 290.37 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-ethyl-1-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-2-yl]methanamine is sourced from PubChem (CID 103352935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).