1-[5-[2-(furan-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]butan-2-amine

C12H17N3O2 — CID 62647862

IUPAC1-[5-[2-(furan-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]butan-2-amine
SMILESCCC(N)Cc1noc(CCc2ccco2)n1
InChIInChI=1S/C12H17N3O2/c1-2-9(13)8-11-14-12(17-15-11)6-5-10-4-3-7-16-10/h3-4,7,9H,2,5-6,8,13H2,1H3
InChIKeyZTEABKTXEZEDBI-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.73
Rot. Bonds6

About 1-[5-[2-(furan-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]butan-2-amine

1-[5-[2-(furan-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]butan-2-amine (PubChem CID 62647862) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 1-[5-[2-(furan-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]butan-2-amine.

Molecular Properties

Compound Name1-[5-[2-(furan-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]butan-2-amine
PubChem CID62647862
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name1-[5-[2-(furan-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]butan-2-amine
SMILESCCC(N)Cc1noc(CCc2ccco2)n1
InChIInChI=1S/C12H17N3O2/c1-2-9(13)8-11-14-12(17-15-11)6-5-10-4-3-7-16-10/h3-4,7,9H,2,5-6,8,13H2,1H3
InChIKeyZTEABKTXEZEDBI-UHFFFAOYSA-N
XLogP1.73
TPSA78.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-[2-(furan-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]-N-methylmethanamine
CID 62337738
2-[5-[2-(furan-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]butan-2-amine
CID 61324061
1-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 63350181
1-(furan-2-yl)-N-(furan-2-ylmethyl)-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine
CID 134018549
3-[5-(furan-2-ylmethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 115079621
2-[5-(furan-2-ylmethyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 115079599
[3-(furan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 115004199
1,4-bis(furan-2-yl)butan-2-amine
CID 105177346
1-(furan-2-ylmethyl)-3-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]urea
CID 71876869
2-[5-[2-(furan-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]-1-propoxypropan-2-amine
CID 104637074
N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-1-(furan-2-yl)-N-methylmethanamine
CID 51075896
1-(5-propyl-1,2,4-oxadiazol-3-yl)propan-2-amine
CID 62653406

Frequently Asked Questions

What is the IUPAC name of 1-[5-[2-(furan-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]butan-2-amine?
The IUPAC name of 1-[5-[2-(furan-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]butan-2-amine (CID 62647862) is 1-[5-[2-(furan-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]butan-2-amine.
What is the SMILES notation for 1-[5-[2-(furan-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]butan-2-amine?
The canonical SMILES for 1-[5-[2-(furan-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]butan-2-amine is CCC(N)Cc1noc(CCc2ccco2)n1.
What is the InChIKey of 1-[5-[2-(furan-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]butan-2-amine?
The InChIKey is ZTEABKTXEZEDBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-2-9(13)8-11-14-12(17-15-11)6-5-10-4-3-7-16-10/h3-4,7,9H,2,5-6,8,13H2,1H3.
What are the key properties of 1-[5-[2-(furan-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]butan-2-amine?
1-[5-[2-(furan-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]butan-2-amine has a molecular weight of 235.29 g/mol, XLogP of 1.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[2-(furan-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]butan-2-amine is sourced from PubChem (CID 62647862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).