1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N,3,3-trimethylbutan-2-amine

C13H19N3O2 — CID 63352296

IUPAC1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N,3,3-trimethylbutan-2-amine
SMILESCNC(Cc1nc(-c2ccco2)no1)C(C)(C)C
InChIInChI=1S/C13H19N3O2/c1-13(2,3)10(14-4)8-11-15-12(16-18-11)9-6-5-7-17-9/h5-7,10,14H,8H2,1-4H3
InChIKeyGVQREUZXFOPVHQ-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.51
Rot. Bonds4

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

1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N,3,3-trimethylbutan-2-amine (PubChem CID 63352296) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N,3,3-trimethylbutan-2-amine.

Molecular Properties

Compound Name1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N,3,3-trimethylbutan-2-amine
PubChem CID63352296
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N,3,3-trimethylbutan-2-amine
SMILESCNC(Cc1nc(-c2ccco2)no1)C(C)(C)C
InChIInChI=1S/C13H19N3O2/c1-13(2,3)10(14-4)8-11-15-12(16-18-11)9-6-5-7-17-9/h5-7,10,14H,8H2,1-4H3
InChIKeyGVQREUZXFOPVHQ-UHFFFAOYSA-N
XLogP2.51
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]-N,3,3-trimethylbutan-2-amine
CID 103375325
3-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-2-methylpropan-1-amine
CID 66224314
1-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N,3,3-trimethylbutan-2-amine
CID 63350302
1-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-N,3,3-trimethylbutan-2-amine
CID 63892002
(1R)-1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine
CID 94549401
3-(furan-2-yl)-5-[[4-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 37202045
3,3,3-trifluoro-2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methylamino]-2-methylpropanoic acid
CID 79789396
1-(4-ethylphenyl)-N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 86922268
1-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-N,3,3-trimethylbutan-2-amine
CID 64985811
5-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-N-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
CID 43052764
3-(furan-2-yl)-5-(pyrrolidin-1-ylmethyl)-1,2,4-oxadiazole
CID 51076543
4-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]butan-1-ol
CID 79193177

Frequently Asked Questions

What is the IUPAC name of 1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N,3,3-trimethylbutan-2-amine?
The IUPAC name of 1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N,3,3-trimethylbutan-2-amine (CID 63352296) is 1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N,3,3-trimethylbutan-2-amine.
What is the SMILES notation for 1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N,3,3-trimethylbutan-2-amine?
The canonical SMILES for 1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N,3,3-trimethylbutan-2-amine is CNC(Cc1nc(-c2ccco2)no1)C(C)(C)C.
What is the InChIKey of 1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N,3,3-trimethylbutan-2-amine?
The InChIKey is GVQREUZXFOPVHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-13(2,3)10(14-4)8-11-15-12(16-18-11)9-6-5-7-17-9/h5-7,10,14H,8H2,1-4H3.
What are the key properties of 1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N,3,3-trimethylbutan-2-amine?
1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N,3,3-trimethylbutan-2-amine has a molecular weight of 249.31 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N,3,3-trimethylbutan-2-amine is sourced from PubChem (CID 63352296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).