3-butan-2-yl-N-(2-methylpropyl)-1,2,4-oxadiazol-5-amine

C10H19N3O — CID 63717815

IUPAC3-butan-2-yl-N-(2-methylpropyl)-1,2,4-oxadiazol-5-amine
SMILESCCC(C)c1noc(NCC(C)C)n1
InChIInChI=1S/C10H19N3O/c1-5-8(4)9-12-10(14-13-9)11-6-7(2)3/h7-8H,5-6H2,1-4H3,(H,11,12,13)
InChIKeyFDQUTEOAZIZVHT-UHFFFAOYSA-N
MW197.28 g/mol
LogP2.65
Rot. Bonds5

About 3-butan-2-yl-N-(2-methylpropyl)-1,2,4-oxadiazol-5-amine

3-butan-2-yl-N-(2-methylpropyl)-1,2,4-oxadiazol-5-amine (PubChem CID 63717815) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 3-butan-2-yl-N-(2-methylpropyl)-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound Name3-butan-2-yl-N-(2-methylpropyl)-1,2,4-oxadiazol-5-amine
PubChem CID63717815
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name3-butan-2-yl-N-(2-methylpropyl)-1,2,4-oxadiazol-5-amine
SMILESCCC(C)c1noc(NCC(C)C)n1
InChIInChI=1S/C10H19N3O/c1-5-8(4)9-12-10(14-13-9)11-6-7(2)3/h7-8H,5-6H2,1-4H3,(H,11,12,13)
InChIKeyFDQUTEOAZIZVHT-UHFFFAOYSA-N
XLogP2.65
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-butan-2-yl-N-(2-methylpropyl)-1,2,4-oxadiazol-5-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 3-butan-2-yl-N-(2-methylpropyl)-1,2,4-oxadiazol-5-amine?
The IUPAC name of 3-butan-2-yl-N-(2-methylpropyl)-1,2,4-oxadiazol-5-amine (CID 63717815) is 3-butan-2-yl-N-(2-methylpropyl)-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for 3-butan-2-yl-N-(2-methylpropyl)-1,2,4-oxadiazol-5-amine?
The canonical SMILES for 3-butan-2-yl-N-(2-methylpropyl)-1,2,4-oxadiazol-5-amine is CCC(C)c1noc(NCC(C)C)n1.
What is the InChIKey of 3-butan-2-yl-N-(2-methylpropyl)-1,2,4-oxadiazol-5-amine?
The InChIKey is FDQUTEOAZIZVHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-5-8(4)9-12-10(14-13-9)11-6-7(2)3/h7-8H,5-6H2,1-4H3,(H,11,12,13).
What are the key properties of 3-butan-2-yl-N-(2-methylpropyl)-1,2,4-oxadiazol-5-amine?
3-butan-2-yl-N-(2-methylpropyl)-1,2,4-oxadiazol-5-amine has a molecular weight of 197.28 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yl-N-(2-methylpropyl)-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 63717815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).