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

C14H25N3O — CID 64986229

IUPAC3-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-N-ethyl-4-methylpentan-2-amine
SMILESCCNC(C)C(c1nc(C2CCC2)no1)C(C)C
InChIInChI=1S/C14H25N3O/c1-5-15-10(4)12(9(2)3)14-16-13(17-18-14)11-7-6-8-11/h9-12,15H,5-8H2,1-4H3
InChIKeyXVEKJIQVBXJITD-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.07
Rot. Bonds6

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

3-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-N-ethyl-4-methylpentan-2-amine (PubChem CID 64986229) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 3-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-N-ethyl-4-methylpentan-2-amine.

Molecular Properties

Compound Name3-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-N-ethyl-4-methylpentan-2-amine
PubChem CID64986229
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name3-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-N-ethyl-4-methylpentan-2-amine
SMILESCCNC(C)C(c1nc(C2CCC2)no1)C(C)C
InChIInChI=1S/C14H25N3O/c1-5-15-10(4)12(9(2)3)14-16-13(17-18-14)11-7-6-8-11/h9-12,15H,5-8H2,1-4H3
InChIKeyXVEKJIQVBXJITD-UHFFFAOYSA-N
XLogP3.07
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-N-ethyl-4-methylpentan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-N-ethyl-4-methylpentan-2-amine?
The IUPAC name of 3-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-N-ethyl-4-methylpentan-2-amine (CID 64986229) is 3-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-N-ethyl-4-methylpentan-2-amine.
What is the SMILES notation for 3-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-N-ethyl-4-methylpentan-2-amine?
The canonical SMILES for 3-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-N-ethyl-4-methylpentan-2-amine is CCNC(C)C(c1nc(C2CCC2)no1)C(C)C.
What is the InChIKey of 3-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-N-ethyl-4-methylpentan-2-amine?
The InChIKey is XVEKJIQVBXJITD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-5-15-10(4)12(9(2)3)14-16-13(17-18-14)11-7-6-8-11/h9-12,15H,5-8H2,1-4H3.
What are the key properties of 3-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-N-ethyl-4-methylpentan-2-amine?
3-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-N-ethyl-4-methylpentan-2-amine has a molecular weight of 251.37 g/mol, XLogP of 3.07, 6 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-ethyl-4-methylpentan-2-amine is sourced from PubChem (CID 64986229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).