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

C13H17N3O — CID 61325497

IUPAC2-[5-(3,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
SMILESCc1ccc(-c2nc(C(C)(C)N)no2)cc1C
InChIInChI=1S/C13H17N3O/c1-8-5-6-10(7-9(8)2)11-15-12(16-17-11)13(3,4)14/h5-7H,14H2,1-4H3
InChIKeyJJQFMQAXALJZGZ-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.55
Rot. Bonds2

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

2-[5-(3,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine (PubChem CID 61325497) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 2-[5-(3,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine.

Molecular Properties

Compound Name2-[5-(3,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
PubChem CID61325497
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name2-[5-(3,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
SMILESCc1ccc(-c2nc(C(C)(C)N)no2)cc1C
InChIInChI=1S/C13H17N3O/c1-8-5-6-10(7-9(8)2)11-15-12(16-17-11)13(3,4)14/h5-7H,14H2,1-4H3
InChIKeyJJQFMQAXALJZGZ-UHFFFAOYSA-N
XLogP2.55
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[5-(3,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[5-(3-chloro-4-methylphenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 63195138
2-[5-(4-iodophenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 61326285
5-(3,4-dimethylphenyl)-1,2,4-oxadiazol-3-amine;hydrochloride
CID 76848383
4-[5-(3,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]aniline
CID 43525136
2-[5-(3-chloro-5-methylphenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 81325124
4-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylaniline
CID 116740285
4-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylphenol
CID 136751308
2-methyl-4-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136751251
2-[5-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 62341028
1-ethoxy-2-[5-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 104636768
2-[5-(5-bromo-2-chlorophenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 61325051
2-[5-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-3-yl]-1-propan-2-yloxypropan-2-amine
CID 104637248

Frequently Asked Questions

What is the IUPAC name of 2-[5-(3,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine?
The IUPAC name of 2-[5-(3,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine (CID 61325497) is 2-[5-(3,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine.
What is the SMILES notation for 2-[5-(3,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine?
The canonical SMILES for 2-[5-(3,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine is Cc1ccc(-c2nc(C(C)(C)N)no2)cc1C.
What is the InChIKey of 2-[5-(3,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine?
The InChIKey is JJQFMQAXALJZGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-8-5-6-10(7-9(8)2)11-15-12(16-17-11)13(3,4)14/h5-7H,14H2,1-4H3.
What are the key properties of 2-[5-(3,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine?
2-[5-(3,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine has a molecular weight of 231.30 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine is sourced from PubChem (CID 61325497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).