3-[5-(2,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]pentan-3-amine

C15H21N3O — CID 61326318

IUPAC3-[5-(2,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]pentan-3-amine
SMILESCCC(N)(CC)c1noc(-c2ccc(C)cc2C)n1
InChIInChI=1S/C15H21N3O/c1-5-15(16,6-2)14-17-13(19-18-14)12-8-7-10(3)9-11(12)4/h7-9H,5-6,16H2,1-4H3
InChIKeyJQNKPUGJKOQPOU-UHFFFAOYSA-N
MW259.35 g/mol
LogP3.33
Rot. Bonds4

About 3-[5-(2,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]pentan-3-amine

3-[5-(2,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]pentan-3-amine (PubChem CID 61326318) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 3-[5-(2,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]pentan-3-amine.

Molecular Properties

Compound Name3-[5-(2,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]pentan-3-amine
PubChem CID61326318
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name3-[5-(2,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]pentan-3-amine
SMILESCCC(N)(CC)c1noc(-c2ccc(C)cc2C)n1
InChIInChI=1S/C15H21N3O/c1-5-15(16,6-2)14-17-13(19-18-14)12-8-7-10(3)9-11(12)4/h7-9H,5-6,16H2,1-4H3
InChIKeyJQNKPUGJKOQPOU-UHFFFAOYSA-N
XLogP3.33
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(2,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]pentan-3-amine?
The IUPAC name of 3-[5-(2,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]pentan-3-amine (CID 61326318) is 3-[5-(2,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]pentan-3-amine.
What is the SMILES notation for 3-[5-(2,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]pentan-3-amine?
The canonical SMILES for 3-[5-(2,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]pentan-3-amine is CCC(N)(CC)c1noc(-c2ccc(C)cc2C)n1.
What is the InChIKey of 3-[5-(2,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]pentan-3-amine?
The InChIKey is JQNKPUGJKOQPOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-5-15(16,6-2)14-17-13(19-18-14)12-8-7-10(3)9-11(12)4/h7-9H,5-6,16H2,1-4H3.
What are the key properties of 3-[5-(2,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]pentan-3-amine?
3-[5-(2,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]pentan-3-amine has a molecular weight of 259.35 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]pentan-3-amine is sourced from PubChem (CID 61326318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).