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

C12H17N3O2 — CID 61324061

IUPAC2-[5-[2-(furan-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]butan-2-amine
SMILESCCC(C)(N)c1noc(CCc2ccco2)n1
InChIInChI=1S/C12H17N3O2/c1-3-12(2,13)11-14-10(17-15-11)7-6-9-5-4-8-16-9/h4-5,8H,3,6-7,13H2,1-2H3
InChIKeyMNUSQQIFTDLMJM-UHFFFAOYSA-N
MW235.29 g/mol
LogP2.03
Rot. Bonds5

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

2-[5-[2-(furan-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]butan-2-amine (PubChem CID 61324061) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 2-[5-[2-(furan-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]butan-2-amine.

Molecular Properties

Compound Name2-[5-[2-(furan-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]butan-2-amine
PubChem CID61324061
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name2-[5-[2-(furan-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]butan-2-amine
SMILESCCC(C)(N)c1noc(CCc2ccco2)n1
InChIInChI=1S/C12H17N3O2/c1-3-12(2,13)11-14-10(17-15-11)7-6-9-5-4-8-16-9/h4-5,8H,3,6-7,13H2,1-2H3
InChIKeyMNUSQQIFTDLMJM-UHFFFAOYSA-N
XLogP2.03
TPSA78.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-[2-(furan-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]-1-propoxypropan-2-amine
CID 104637074
1-[5-[2-(furan-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]butan-2-amine
CID 62647862
1-[5-[2-(furan-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]-N-methylmethanamine
CID 62337738
2-[5-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]butan-2-amine
CID 61354499
2-[5-(2-chlorofuran-3-yl)-1,2,4-oxadiazol-3-yl]butan-2-amine
CID 106689440
1-[5-[2-(furan-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]-4-methylcyclohexan-1-amine
CID 61353316
2-(5-propyl-1,2,4-oxadiazol-3-yl)propan-2-amine;hydrochloride
CID 47002453
2-[5-(1-adamantylmethyl)-1,2,4-oxadiazol-3-yl]butan-2-amine
CID 79989376
[3-(furan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 115004199
3-[5-(furan-2-ylmethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 115079621
5-(furan-2-ylmethyl)-1,2,4-oxadiazol-3-amine
CID 115004217
2-(5-heptyl-1,2,4-oxadiazol-3-yl)-1-methoxypropan-2-amine
CID 104636347

Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-(furan-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]butan-2-amine?
The IUPAC name of 2-[5-[2-(furan-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]butan-2-amine (CID 61324061) is 2-[5-[2-(furan-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]butan-2-amine.
What is the SMILES notation for 2-[5-[2-(furan-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]butan-2-amine?
The canonical SMILES for 2-[5-[2-(furan-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]butan-2-amine is CCC(C)(N)c1noc(CCc2ccco2)n1.
What is the InChIKey of 2-[5-[2-(furan-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]butan-2-amine?
The InChIKey is MNUSQQIFTDLMJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-3-12(2,13)11-14-10(17-15-11)7-6-9-5-4-8-16-9/h4-5,8H,3,6-7,13H2,1-2H3.
What are the key properties of 2-[5-[2-(furan-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]butan-2-amine?
2-[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 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[2-(furan-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]butan-2-amine is sourced from PubChem (CID 61324061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).