4-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-N-methylbutan-2-amine

C11H19N3O — CID 64986076

IUPAC4-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-N-methylbutan-2-amine
SMILESCNC(C)CCc1nc(C2CCC2)no1
InChIInChI=1S/C11H19N3O/c1-8(12-2)6-7-10-13-11(14-15-10)9-4-3-5-9/h8-9,12H,3-7H2,1-2H3
InChIKeyULJWXINOVIRMKU-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.88
Rot. Bonds5

About 4-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-N-methylbutan-2-amine

4-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-N-methylbutan-2-amine (PubChem CID 64986076) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 4-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-N-methylbutan-2-amine.

Molecular Properties

Compound Name4-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-N-methylbutan-2-amine
PubChem CID64986076
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name4-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-N-methylbutan-2-amine
SMILESCNC(C)CCc1nc(C2CCC2)no1
InChIInChI=1S/C11H19N3O/c1-8(12-2)6-7-10-13-11(14-15-10)9-4-3-5-9/h8-9,12H,3-7H2,1-2H3
InChIKeyULJWXINOVIRMKU-UHFFFAOYSA-N
XLogP1.88
TPSA50.95 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 ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-4-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 63350541
4-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-N-ethylbutan-2-amine
CID 65425572
4-[3-(3,3-difluorocyclopentyl)-1,2,4-oxadiazol-5-yl]-N-methylbutan-2-amine
CID 114216662
4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butan-2-amine
CID 63348149
N-[(3-cyclobutyl-1,2,4-oxadiazol-5-yl)methyl]butan-2-amine
CID 64982225
1-[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine
CID 65414269
1-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-N,3,3-trimethylbutan-2-amine
CID 64985811
1-[3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine
CID 65392265
4-[3-(oxan-3-yl)-1,2,4-oxadiazol-5-yl]-N-propylbutan-2-amine
CID 65333945
N-ethyl-4-[3-(4-propylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 65400186
N-methyl-4-[3-(4-propan-2-ylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 79663367
N-methyl-2-[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 65422879

Frequently Asked Questions

What is the IUPAC name of 4-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-N-methylbutan-2-amine?
The IUPAC name of 4-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-N-methylbutan-2-amine (CID 64986076) is 4-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-N-methylbutan-2-amine.
What is the SMILES notation for 4-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-N-methylbutan-2-amine?
The canonical SMILES for 4-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-N-methylbutan-2-amine is CNC(C)CCc1nc(C2CCC2)no1.
What is the InChIKey of 4-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-N-methylbutan-2-amine?
The InChIKey is ULJWXINOVIRMKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-8(12-2)6-7-10-13-11(14-15-10)9-4-3-5-9/h8-9,12H,3-7H2,1-2H3.
What are the key properties of 4-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-N-methylbutan-2-amine?
4-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-N-methylbutan-2-amine has a molecular weight of 209.29 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-N-methylbutan-2-amine is sourced from PubChem (CID 64986076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).