2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-ethylbutan-1-amine

C11H19N3O — CID 115430515

IUPAC2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-ethylbutan-1-amine
SMILESCCC(CC)(CN)c1nc(C2CC2)no1
InChIInChI=1S/C11H19N3O/c1-3-11(4-2,7-12)10-13-9(14-15-10)8-5-6-8/h8H,3-7,12H2,1-2H3
InChIKeyDNCZTRJPAFEKLF-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.96
Rot. Bonds5

About 2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-ethylbutan-1-amine

2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-ethylbutan-1-amine (PubChem CID 115430515) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-ethylbutan-1-amine.

Molecular Properties

Compound Name2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-ethylbutan-1-amine
PubChem CID115430515
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-ethylbutan-1-amine
SMILESCCC(CC)(CN)c1nc(C2CC2)no1
InChIInChI=1S/C11H19N3O/c1-3-11(4-2,7-12)10-13-9(14-15-10)8-5-6-8/h8H,3-7,12H2,1-2H3
InChIKeyDNCZTRJPAFEKLF-UHFFFAOYSA-N
XLogP1.96
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-2-ethylbutan-1-amine
CID 113308663
2-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]-2-ethylbutan-1-amine
CID 107925071
2-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)butan-2-amine
CID 80601727
3-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-2,3-dimethylbutan-2-amine
CID 65261284
2-ethyl-2-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 115430638
2,3-dimethyl-3-[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 65425779
3-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)-2,3-dimethylbutan-2-amine
CID 80601737
2,2-difluoro-2-[3-(thietan-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 164644588
2-ethyl-2-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 113308674
2-(3-benzyl-1,2,4-oxadiazol-5-yl)-2-ethylbutan-1-amine
CID 115430500
2-ethyl-2-[3-(2H-triazol-4-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 115430648
3-cyclononyl-5-(1,1-difluoroethyl)-1,2,4-oxadiazole
CID 167237870

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-ethylbutan-1-amine?
The IUPAC name of 2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-ethylbutan-1-amine (CID 115430515) is 2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-ethylbutan-1-amine.
What is the SMILES notation for 2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-ethylbutan-1-amine?
The canonical SMILES for 2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-ethylbutan-1-amine is CCC(CC)(CN)c1nc(C2CC2)no1.
What is the InChIKey of 2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-ethylbutan-1-amine?
The InChIKey is DNCZTRJPAFEKLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-3-11(4-2,7-12)10-13-9(14-15-10)8-5-6-8/h8H,3-7,12H2,1-2H3.
What are the key properties of 2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-ethylbutan-1-amine?
2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-ethylbutan-1-amine has a molecular weight of 209.29 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-ethylbutan-1-amine is sourced from PubChem (CID 115430515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).