2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-1-phenylbutan-2-amine

C15H19N3O — CID 79008177

IUPAC2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-1-phenylbutan-2-amine
SMILESCCC(N)(Cc1ccccc1)c1noc(C2CC2)n1
InChIInChI=1S/C15H19N3O/c1-2-15(16,10-11-6-4-3-5-7-11)14-17-13(19-18-14)12-8-9-12/h3-7,12H,2,8-10,16H2,1H3
InChIKeyFYOFCIRYZIQPLK-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.75
Rot. Bonds5

About 2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-1-phenylbutan-2-amine

2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-1-phenylbutan-2-amine (PubChem CID 79008177) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-1-phenylbutan-2-amine.

Molecular Properties

Compound Name2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-1-phenylbutan-2-amine
PubChem CID79008177
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-1-phenylbutan-2-amine
SMILESCCC(N)(Cc1ccccc1)c1noc(C2CC2)n1
InChIInChI=1S/C15H19N3O/c1-2-15(16,10-11-6-4-3-5-7-11)14-17-13(19-18-14)12-8-9-12/h3-7,12H,2,8-10,16H2,1H3
InChIKeyFYOFCIRYZIQPLK-UHFFFAOYSA-N
XLogP2.75
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-1-phenylbutan-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

3-(5-cyclooctyl-1,2,4-oxadiazol-3-yl)pentan-3-amine
CID 65021193
1-cyclopropyl-1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)propan-1-amine
CID 64919546
2-[5-(4-tert-butylcyclohexyl)-1,2,4-oxadiazol-3-yl]butan-2-amine
CID 62717760
3-[5-(2-phenylpropan-2-yl)-1,2,4-oxadiazol-3-yl]pentan-3-amine
CID 61326508
2-[5-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 107127579
3-[5-[(3-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]pentan-3-amine
CID 55067619
5-(3-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-6-yl)-3-(2-methyl-1-phenylpropan-2-yl)-1,2,4-oxadiazole
CID 167928320
3-[5-(2-iodophenyl)-1,2,4-oxadiazol-3-yl]pentan-3-amine
CID 61326504
3-[5-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-3-yl]pentan-3-amine
CID 62803868
2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-5-methylhexan-2-amine
CID 43559704
3-(2,6-difluorophenyl)-5-(4-propylcyclohexyl)-1,2,4-oxadiazole
CID 20967059
3-[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]pentan-3-amine
CID 61324868

Frequently Asked Questions

What is the IUPAC name of 2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-1-phenylbutan-2-amine?
The IUPAC name of 2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-1-phenylbutan-2-amine (CID 79008177) is 2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-1-phenylbutan-2-amine.
What is the SMILES notation for 2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-1-phenylbutan-2-amine?
The canonical SMILES for 2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-1-phenylbutan-2-amine is CCC(N)(Cc1ccccc1)c1noc(C2CC2)n1.
What is the InChIKey of 2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-1-phenylbutan-2-amine?
The InChIKey is FYOFCIRYZIQPLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-2-15(16,10-11-6-4-3-5-7-11)14-17-13(19-18-14)12-8-9-12/h3-7,12H,2,8-10,16H2,1H3.
What are the key properties of 2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-1-phenylbutan-2-amine?
2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-1-phenylbutan-2-amine has a molecular weight of 257.34 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-1-phenylbutan-2-amine is sourced from PubChem (CID 79008177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).