1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-propylbutan-2-amine

C12H23N3O — CID 63347724

IUPAC1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-propylbutan-2-amine
SMILESCCCNC(CC)Cc1nc(C(C)C)no1
InChIInChI=1S/C12H23N3O/c1-5-7-13-10(6-2)8-11-14-12(9(3)4)15-16-11/h9-10,13H,5-8H2,1-4H3
InChIKeyIVWQLAHEUDSAJS-UHFFFAOYSA-N
MW225.34 g/mol
LogP2.51
Rot. Bonds7

About 1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-propylbutan-2-amine

1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-propylbutan-2-amine (PubChem CID 63347724) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-propylbutan-2-amine.

Molecular Properties

Compound Name1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-propylbutan-2-amine
PubChem CID63347724
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-propylbutan-2-amine
SMILESCCCNC(CC)Cc1nc(C(C)C)no1
InChIInChI=1S/C12H23N3O/c1-5-7-13-10(6-2)8-11-14-12(9(3)4)15-16-11/h9-10,13H,5-8H2,1-4H3
InChIKeyIVWQLAHEUDSAJS-UHFFFAOYSA-N
XLogP2.51
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-propylbutan-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

3,3-dimethyl-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-propylbutan-2-amine
CID 63347721
1-[3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]-N-propylbutan-2-amine
CID 116733491
1-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-2-amine
CID 79604725
4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-propylbutan-2-amine
CID 63347865
1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-propylbutan-2-amine
CID 63350604
N-ethyl-N-methyl-5-[2-(propylamino)butyl]-1,2,4-oxadiazol-3-amine
CID 116809384
N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]propan-1-amine
CID 60720301
N-ethyl-1-methoxy-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-2-amine
CID 63347818
1-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]-N-propylbutan-2-amine
CID 65093902
1-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-N-methylbutan-2-amine
CID 63716700
1-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]-N-propylbutan-2-amine
CID 63350491
1-[3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-N-propylbutan-2-amine
CID 65389890

Frequently Asked Questions

What is the IUPAC name of 1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-propylbutan-2-amine?
The IUPAC name of 1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-propylbutan-2-amine (CID 63347724) is 1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-propylbutan-2-amine.
What is the SMILES notation for 1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-propylbutan-2-amine?
The canonical SMILES for 1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-propylbutan-2-amine is CCCNC(CC)Cc1nc(C(C)C)no1.
What is the InChIKey of 1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-propylbutan-2-amine?
The InChIKey is IVWQLAHEUDSAJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-5-7-13-10(6-2)8-11-14-12(9(3)4)15-16-11/h9-10,13H,5-8H2,1-4H3.
What are the key properties of 1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-propylbutan-2-amine?
1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-propylbutan-2-amine has a molecular weight of 225.34 g/mol, XLogP of 2.51, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-propylbutan-2-amine is sourced from PubChem (CID 63347724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).