5-(3,4-dimethylphenyl)-1,2,4-oxadiazol-3-amine;hydrochloride

C10H12ClN3O — CID 76848383

IUPAC5-(3,4-dimethylphenyl)-1,2,4-oxadiazol-3-amine;hydrochloride
SMILESCc1ccc(-c2nc(N)no2)cc1C.Cl
InChIInChI=1S/C10H11N3O.ClH/c1-6-3-4-8(5-7(6)2)9-12-10(11)13-14-9;/h3-5H,1-2H3,(H2,11,13);1H
InChIKeyCESHKVQVYXZZGZ-UHFFFAOYSA-N
MW225.68 g/mol
LogP2.36
Rot. Bonds1

About 5-(3,4-dimethylphenyl)-1,2,4-oxadiazol-3-amine;hydrochloride

5-(3,4-dimethylphenyl)-1,2,4-oxadiazol-3-amine;hydrochloride (PubChem CID 76848383) has the molecular formula C10H12ClN3O and a molecular weight of 225.68 g/mol. Its IUPAC name is 5-(3,4-dimethylphenyl)-1,2,4-oxadiazol-3-amine;hydrochloride.

Molecular Properties

Compound Name5-(3,4-dimethylphenyl)-1,2,4-oxadiazol-3-amine;hydrochloride
PubChem CID76848383
Molecular FormulaC10H12ClN3O
Molecular Weight225.68 g/mol
Exact Mass225.07
IUPAC Name5-(3,4-dimethylphenyl)-1,2,4-oxadiazol-3-amine;hydrochloride
SMILESCc1ccc(-c2nc(N)no2)cc1C.Cl
InChIInChI=1S/C10H11N3O.ClH/c1-6-3-4-8(5-7(6)2)9-12-10(11)13-14-9;/h3-5H,1-2H3,(H2,11,13);1H
InChIKeyCESHKVQVYXZZGZ-UHFFFAOYSA-N
XLogP2.36
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.68
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[5-(3,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]aniline
CID 43525136
2-[5-(3,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 61325497
1-[5-(3,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120853935
5-(4-amino-3-chlorophenyl)-1,2,4-oxadiazol-3-amine
CID 65416842
5-(3-aminophenyl)-1,2,4-oxadiazol-3-amine
CID 65417275
ethane;2-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)aniline
CID 171813495
5-[3-(dimethylamino)phenyl]-1,2,4-oxadiazol-3-amine;hydrochloride
CID 76848385
5-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-3-amine
CID 63692453
N-[[5-(3,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine
CID 62342943
3-(3-amino-1,2,4-oxadiazol-5-yl)phenol
CID 115079196
5-(4-amino-2-methylphenyl)-1,2,4-oxadiazol-3-amine
CID 65418129
4-(3,4-dimethylphenyl)-5-methyl-1,2-oxazol-3-amine
CID 66201499

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethylphenyl)-1,2,4-oxadiazol-3-amine;hydrochloride?
The IUPAC name of 5-(3,4-dimethylphenyl)-1,2,4-oxadiazol-3-amine;hydrochloride (CID 76848383) is 5-(3,4-dimethylphenyl)-1,2,4-oxadiazol-3-amine;hydrochloride.
What is the SMILES notation for 5-(3,4-dimethylphenyl)-1,2,4-oxadiazol-3-amine;hydrochloride?
The canonical SMILES for 5-(3,4-dimethylphenyl)-1,2,4-oxadiazol-3-amine;hydrochloride is Cc1ccc(-c2nc(N)no2)cc1C.Cl.
What is the InChIKey of 5-(3,4-dimethylphenyl)-1,2,4-oxadiazol-3-amine;hydrochloride?
The InChIKey is CESHKVQVYXZZGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O.ClH/c1-6-3-4-8(5-7(6)2)9-12-10(11)13-14-9;/h3-5H,1-2H3,(H2,11,13);1H.
What are the key properties of 5-(3,4-dimethylphenyl)-1,2,4-oxadiazol-3-amine;hydrochloride?
5-(3,4-dimethylphenyl)-1,2,4-oxadiazol-3-amine;hydrochloride has a molecular weight of 225.68 g/mol, XLogP of 2.36, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethylphenyl)-1,2,4-oxadiazol-3-amine;hydrochloride is sourced from PubChem (CID 76848383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).