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

C11H13N3O — CID 61323958

IUPAC[5-(2,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]methanamine
SMILESCc1ccc(-c2nc(CN)no2)c(C)c1
InChIInChI=1S/C11H13N3O/c1-7-3-4-9(8(2)5-7)11-13-10(6-12)14-15-11/h3-5H,6,12H2,1-2H3
InChIKeyYHQWZBQHELJCDJ-UHFFFAOYSA-N
MW203.24 g/mol
LogP1.81
Rot. Bonds2

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

[5-(2,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]methanamine (PubChem CID 61323958) has the molecular formula C11H13N3O and a molecular weight of 203.24 g/mol. Its IUPAC name is [5-(2,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]methanamine.

Molecular Properties

Compound Name[5-(2,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]methanamine
PubChem CID61323958
Molecular FormulaC11H13N3O
Molecular Weight203.24 g/mol
Exact Mass203.11
IUPAC Name[5-(2,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]methanamine
SMILESCc1ccc(-c2nc(CN)no2)c(C)c1
InChIInChI=1S/C11H13N3O/c1-7-3-4-9(8(2)5-7)11-13-10(6-12)14-15-11/h3-5H,6,12H2,1-2H3
InChIKeyYHQWZBQHELJCDJ-UHFFFAOYSA-N
XLogP1.81
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-(2,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 61334501
[5-(2,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]methanol
CID 90939332
1-[5-(2,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]-N-methylmethanamine
CID 62337907
1-[5-(2,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]butan-2-amine
CID 62648040
3-[5-(2,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]pentan-3-amine
CID 61326318
[5-(5-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazol-3-yl]methanamine
CID 55012566
1-[5-(2,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 102660575
2-[3-(2-hydroxyethyl)-1,2,4-oxadiazol-5-yl]-5-methylphenol
CID 136712503
2-[5-(2,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]-1-(3-fluorophenyl)ethanone
CID 70554936
[5-(2,4-dibromophenyl)-1,2,4-oxadiazol-3-yl]methanamine
CID 107940651
[5-(2,5-dimethyl-1H-pyrrol-3-yl)-1,2,4-oxadiazol-3-yl]methanamine;hydrochloride
CID 137194875
4-(3-ethyl-1,2,4-oxadiazol-5-yl)-3-methylbenzonitrile
CID 103827449

Frequently Asked Questions

What is the IUPAC name of [5-(2,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]methanamine?
The IUPAC name of [5-(2,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]methanamine (CID 61323958) is [5-(2,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]methanamine.
What is the SMILES notation for [5-(2,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]methanamine?
The canonical SMILES for [5-(2,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]methanamine is Cc1ccc(-c2nc(CN)no2)c(C)c1.
What is the InChIKey of [5-(2,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]methanamine?
The InChIKey is YHQWZBQHELJCDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-7-3-4-9(8(2)5-7)11-13-10(6-12)14-15-11/h3-5H,6,12H2,1-2H3.
What are the key properties of [5-(2,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]methanamine?
[5-(2,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]methanamine has a molecular weight of 203.24 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]methanamine is sourced from PubChem (CID 61323958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).