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

C13H23N3O — CID 64985431

IUPAC3-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-N,4-dimethylpentan-2-amine
SMILESCNC(C)C(c1nc(C2CCC2)no1)C(C)C
InChIInChI=1S/C13H23N3O/c1-8(2)11(9(3)14-4)13-15-12(16-17-13)10-6-5-7-10/h8-11,14H,5-7H2,1-4H3
InChIKeyFQYGSDFGKCSFCU-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.68
Rot. Bonds5

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

3-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-N,4-dimethylpentan-2-amine (PubChem CID 64985431) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 3-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-N,4-dimethylpentan-2-amine.

Molecular Properties

Compound Name3-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-N,4-dimethylpentan-2-amine
PubChem CID64985431
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name3-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-N,4-dimethylpentan-2-amine
SMILESCNC(C)C(c1nc(C2CCC2)no1)C(C)C
InChIInChI=1S/C13H23N3O/c1-8(2)11(9(3)14-4)13-15-12(16-17-13)10-6-5-7-10/h8-11,14H,5-7H2,1-4H3
InChIKeyFQYGSDFGKCSFCU-UHFFFAOYSA-N
XLogP2.68
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-N,4-dimethylpentan-2-amine?
The IUPAC name of 3-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-N,4-dimethylpentan-2-amine (CID 64985431) is 3-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-N,4-dimethylpentan-2-amine.
What is the SMILES notation for 3-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-N,4-dimethylpentan-2-amine?
The canonical SMILES for 3-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-N,4-dimethylpentan-2-amine is CNC(C)C(c1nc(C2CCC2)no1)C(C)C.
What is the InChIKey of 3-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-N,4-dimethylpentan-2-amine?
The InChIKey is FQYGSDFGKCSFCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-8(2)11(9(3)14-4)13-15-12(16-17-13)10-6-5-7-10/h8-11,14H,5-7H2,1-4H3.
What are the key properties of 3-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-N,4-dimethylpentan-2-amine?
3-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-N,4-dimethylpentan-2-amine has a molecular weight of 237.35 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-N,4-dimethylpentan-2-amine is sourced from PubChem (CID 64985431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).