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

C9H14F3N3O — CID 79798165

IUPAC2-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-1,1,1-trifluoropropan-2-amine
SMILESCCC(C)c1noc(C(C)(N)C(F)(F)F)n1
InChIInChI=1S/C9H14F3N3O/c1-4-5(2)6-14-7(16-15-6)8(3,13)9(10,11)12/h5H,4,13H2,1-3H3
InChIKeyCKQGRKOJZYYZRA-UHFFFAOYSA-N
MW237.22 g/mol
LogP2.32
Rot. Bonds3

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

2-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-1,1,1-trifluoropropan-2-amine (PubChem CID 79798165) has the molecular formula C9H14F3N3O and a molecular weight of 237.22 g/mol. Its IUPAC name is 2-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-1,1,1-trifluoropropan-2-amine.

Molecular Properties

Compound Name2-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-1,1,1-trifluoropropan-2-amine
PubChem CID79798165
Molecular FormulaC9H14F3N3O
Molecular Weight237.22 g/mol
Exact Mass237.11
IUPAC Name2-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-1,1,1-trifluoropropan-2-amine
SMILESCCC(C)c1noc(C(C)(N)C(F)(F)F)n1
InChIInChI=1S/C9H14F3N3O/c1-4-5(2)6-14-7(16-15-6)8(3,13)9(10,11)12/h5H,4,13H2,1-3H3
InChIKeyCKQGRKOJZYYZRA-UHFFFAOYSA-N
XLogP2.32
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.22
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-1,1,1-trifluoropropan-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 2-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-1,1,1-trifluoropropan-2-amine?
The IUPAC name of 2-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-1,1,1-trifluoropropan-2-amine (CID 79798165) is 2-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-1,1,1-trifluoropropan-2-amine.
What is the SMILES notation for 2-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-1,1,1-trifluoropropan-2-amine?
The canonical SMILES for 2-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-1,1,1-trifluoropropan-2-amine is CCC(C)c1noc(C(C)(N)C(F)(F)F)n1.
What is the InChIKey of 2-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-1,1,1-trifluoropropan-2-amine?
The InChIKey is CKQGRKOJZYYZRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N3O/c1-4-5(2)6-14-7(16-15-6)8(3,13)9(10,11)12/h5H,4,13H2,1-3H3.
What are the key properties of 2-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-1,1,1-trifluoropropan-2-amine?
2-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-1,1,1-trifluoropropan-2-amine has a molecular weight of 237.22 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-1,1,1-trifluoropropan-2-amine is sourced from PubChem (CID 79798165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).