5-[3-(dimethylamino)phenyl]-1,2,4-oxadiazol-3-amine;hydrochloride

C10H13ClN4O — CID 76848385

IUPAC5-[3-(dimethylamino)phenyl]-1,2,4-oxadiazol-3-amine;hydrochloride
SMILESCN(C)c1cccc(-c2nc(N)no2)c1.Cl
InChIInChI=1S/C10H12N4O.ClH/c1-14(2)8-5-3-4-7(6-8)9-12-10(11)13-15-9;/h3-6H,1-2H3,(H2,11,13);1H
InChIKeyCPXQKAYSLWODGE-UHFFFAOYSA-N
MW240.69 g/mol
LogP1.81
Rot. Bonds2

About 5-[3-(dimethylamino)phenyl]-1,2,4-oxadiazol-3-amine;hydrochloride

5-[3-(dimethylamino)phenyl]-1,2,4-oxadiazol-3-amine;hydrochloride (PubChem CID 76848385) has the molecular formula C10H13ClN4O and a molecular weight of 240.69 g/mol. Its IUPAC name is 5-[3-(dimethylamino)phenyl]-1,2,4-oxadiazol-3-amine;hydrochloride.

Molecular Properties

Compound Name5-[3-(dimethylamino)phenyl]-1,2,4-oxadiazol-3-amine;hydrochloride
PubChem CID76848385
Molecular FormulaC10H13ClN4O
Molecular Weight240.69 g/mol
Exact Mass240.08
IUPAC Name5-[3-(dimethylamino)phenyl]-1,2,4-oxadiazol-3-amine;hydrochloride
SMILESCN(C)c1cccc(-c2nc(N)no2)c1.Cl
InChIInChI=1S/C10H12N4O.ClH/c1-14(2)8-5-3-4-7(6-8)9-12-10(11)13-15-9;/h3-6H,1-2H3,(H2,11,13);1H
InChIKeyCPXQKAYSLWODGE-UHFFFAOYSA-N
XLogP1.81
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.69
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3-aminophenyl)-1,2,4-oxadiazol-3-amine
CID 65417275
3-[3-(1-amino-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-N,N-dimethylaniline
CID 61324207
3-(3-amino-1,2,4-oxadiazol-5-yl)phenol
CID 115079196
3-[3-(2-aminobutyl)-1,2,4-oxadiazol-5-yl]-N,N-dimethylaniline
CID 55101558
5-[3-(aminomethyl)phenyl]-1,2,4-oxadiazol-3-amine
CID 65417709
3-[3-(1-amino-2-propan-2-yloxyethyl)-1,2,4-oxadiazol-5-yl]-N,N-dimethylaniline
CID 104634668
5-(3,4-dimethylphenyl)-1,2,4-oxadiazol-3-amine;hydrochloride
CID 76848383
N,N-dimethyl-3-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]aniline
CID 97433611
N,N-dimethyl-3-[3-(4-morpholin-4-ylphenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 50769624
5-(3-nitrophenyl)-1,2,4-oxadiazol-3-amine
CID 63692611
4-[3-(dimethylamino)phenyl]-1,2-oxazol-5-amine
CID 117291729
4-[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]-N,N-dimethylaniline
CID 50769449

Frequently Asked Questions

What is the IUPAC name of 5-[3-(dimethylamino)phenyl]-1,2,4-oxadiazol-3-amine;hydrochloride?
The IUPAC name of 5-[3-(dimethylamino)phenyl]-1,2,4-oxadiazol-3-amine;hydrochloride (CID 76848385) is 5-[3-(dimethylamino)phenyl]-1,2,4-oxadiazol-3-amine;hydrochloride.
What is the SMILES notation for 5-[3-(dimethylamino)phenyl]-1,2,4-oxadiazol-3-amine;hydrochloride?
The canonical SMILES for 5-[3-(dimethylamino)phenyl]-1,2,4-oxadiazol-3-amine;hydrochloride is CN(C)c1cccc(-c2nc(N)no2)c1.Cl.
What is the InChIKey of 5-[3-(dimethylamino)phenyl]-1,2,4-oxadiazol-3-amine;hydrochloride?
The InChIKey is CPXQKAYSLWODGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O.ClH/c1-14(2)8-5-3-4-7(6-8)9-12-10(11)13-15-9;/h3-6H,1-2H3,(H2,11,13);1H.
What are the key properties of 5-[3-(dimethylamino)phenyl]-1,2,4-oxadiazol-3-amine;hydrochloride?
5-[3-(dimethylamino)phenyl]-1,2,4-oxadiazol-3-amine;hydrochloride has a molecular weight of 240.69 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(dimethylamino)phenyl]-1,2,4-oxadiazol-3-amine;hydrochloride is sourced from PubChem (CID 76848385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).