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

C14H19N3O — CID 62901112

IUPAC1-[3-[(3,4-dimethylphenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-2-amine
SMILESCc1ccc(Cc2noc(CC(C)N)n2)cc1C
InChIInChI=1S/C14H19N3O/c1-9-4-5-12(6-10(9)2)8-13-16-14(18-17-13)7-11(3)15/h4-6,11H,7-8,15H2,1-3H3
InChIKeyGFPSJOOYCAYNCV-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.17
Rot. Bonds4

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

1-[3-[(3,4-dimethylphenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-2-amine (PubChem CID 62901112) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 1-[3-[(3,4-dimethylphenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-2-amine.

Molecular Properties

Compound Name1-[3-[(3,4-dimethylphenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-2-amine
PubChem CID62901112
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name1-[3-[(3,4-dimethylphenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-2-amine
SMILESCc1ccc(Cc2noc(CC(C)N)n2)cc1C
InChIInChI=1S/C14H19N3O/c1-9-4-5-12(6-10(9)2)8-13-16-14(18-17-13)7-11(3)15/h4-6,11H,7-8,15H2,1-3H3
InChIKeyGFPSJOOYCAYNCV-UHFFFAOYSA-N
XLogP2.17
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[3-[(3,4-dimethylphenyl)methyl]-1,2,4-oxadiazol-5-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

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(3,4-dimethylphenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-2-amine?
The IUPAC name of 1-[3-[(3,4-dimethylphenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-2-amine (CID 62901112) is 1-[3-[(3,4-dimethylphenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-2-amine.
What is the SMILES notation for 1-[3-[(3,4-dimethylphenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-2-amine?
The canonical SMILES for 1-[3-[(3,4-dimethylphenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-2-amine is Cc1ccc(Cc2noc(CC(C)N)n2)cc1C.
What is the InChIKey of 1-[3-[(3,4-dimethylphenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-2-amine?
The InChIKey is GFPSJOOYCAYNCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-9-4-5-12(6-10(9)2)8-13-16-14(18-17-13)7-11(3)15/h4-6,11H,7-8,15H2,1-3H3.
What are the key properties of 1-[3-[(3,4-dimethylphenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-2-amine?
1-[3-[(3,4-dimethylphenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-2-amine has a molecular weight of 245.33 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(3,4-dimethylphenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-2-amine is sourced from PubChem (CID 62901112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).