3-(3,5-dimethylphenyl)-5-ethyl-5-methyl-1,2,4-oxadiazol-4-amine

C13H19N3O — CID 68889684

IUPAC3-(3,5-dimethylphenyl)-5-ethyl-5-methyl-1,2,4-oxadiazol-4-amine
SMILESCCC1(C)ON=C(c2cc(C)cc(C)c2)N1N
InChIInChI=1S/C13H19N3O/c1-5-13(4)16(14)12(15-17-13)11-7-9(2)6-10(3)8-11/h6-8H,5,14H2,1-4H3
InChIKeySQJGLHHVRWIZIF-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.30
Rot. Bonds2

About 3-(3,5-dimethylphenyl)-5-ethyl-5-methyl-1,2,4-oxadiazol-4-amine

3-(3,5-dimethylphenyl)-5-ethyl-5-methyl-1,2,4-oxadiazol-4-amine (PubChem CID 68889684) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 3-(3,5-dimethylphenyl)-5-ethyl-5-methyl-1,2,4-oxadiazol-4-amine.

Molecular Properties

Compound Name3-(3,5-dimethylphenyl)-5-ethyl-5-methyl-1,2,4-oxadiazol-4-amine
PubChem CID68889684
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name3-(3,5-dimethylphenyl)-5-ethyl-5-methyl-1,2,4-oxadiazol-4-amine
SMILESCCC1(C)ON=C(c2cc(C)cc(C)c2)N1N
InChIInChI=1S/C13H19N3O/c1-5-13(4)16(14)12(15-17-13)11-7-9(2)6-10(3)8-11/h6-8H,5,14H2,1-4H3
InChIKeySQJGLHHVRWIZIF-UHFFFAOYSA-N
XLogP2.30
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylphenyl)-5-ethyl-5-methyl-1,2,4-oxadiazol-4-amine?
The IUPAC name of 3-(3,5-dimethylphenyl)-5-ethyl-5-methyl-1,2,4-oxadiazol-4-amine (CID 68889684) is 3-(3,5-dimethylphenyl)-5-ethyl-5-methyl-1,2,4-oxadiazol-4-amine.
What is the SMILES notation for 3-(3,5-dimethylphenyl)-5-ethyl-5-methyl-1,2,4-oxadiazol-4-amine?
The canonical SMILES for 3-(3,5-dimethylphenyl)-5-ethyl-5-methyl-1,2,4-oxadiazol-4-amine is CCC1(C)ON=C(c2cc(C)cc(C)c2)N1N.
What is the InChIKey of 3-(3,5-dimethylphenyl)-5-ethyl-5-methyl-1,2,4-oxadiazol-4-amine?
The InChIKey is SQJGLHHVRWIZIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-5-13(4)16(14)12(15-17-13)11-7-9(2)6-10(3)8-11/h6-8H,5,14H2,1-4H3.
What are the key properties of 3-(3,5-dimethylphenyl)-5-ethyl-5-methyl-1,2,4-oxadiazol-4-amine?
3-(3,5-dimethylphenyl)-5-ethyl-5-methyl-1,2,4-oxadiazol-4-amine has a molecular weight of 233.31 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylphenyl)-5-ethyl-5-methyl-1,2,4-oxadiazol-4-amine is sourced from PubChem (CID 68889684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).