1-[5-[1-tert-butyl-5-(trifluoromethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine

C14H18F3N5O — CID 120864354

IUPAC1-[5-[1-tert-butyl-5-(trifluoromethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
SMILESCC(C)(C)n1ncc(-c2nc(C3(N)CCC3)no2)c1C(F)(F)F
InChIInChI=1S/C14H18F3N5O/c1-12(2,3)22-9(14(15,16)17)8(7-19-22)10-20-11(21-23-10)13(18)5-4-6-13/h7H,4-6,18H2,1-3H3
InChIKeyUJEXZALWGOFVAO-UHFFFAOYSA-N
MW329.33 g/mol
LogP3.04
Rot. Bonds2

About 1-[5-[1-tert-butyl-5-(trifluoromethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine

1-[5-[1-tert-butyl-5-(trifluoromethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine (PubChem CID 120864354) has the molecular formula C14H18F3N5O and a molecular weight of 329.33 g/mol. Its IUPAC name is 1-[5-[1-tert-butyl-5-(trifluoromethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine.

Molecular Properties

Compound Name1-[5-[1-tert-butyl-5-(trifluoromethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
PubChem CID120864354
Molecular FormulaC14H18F3N5O
Molecular Weight329.33 g/mol
Exact Mass329.15
IUPAC Name1-[5-[1-tert-butyl-5-(trifluoromethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
SMILESCC(C)(C)n1ncc(-c2nc(C3(N)CCC3)no2)c1C(F)(F)F
InChIInChI=1S/C14H18F3N5O/c1-12(2,3)22-9(14(15,16)17)8(7-19-22)10-20-11(21-23-10)13(18)5-4-6-13/h7H,4-6,18H2,1-3H3
InChIKeyUJEXZALWGOFVAO-UHFFFAOYSA-N
XLogP3.04
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.33
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[5-[1-tert-butyl-5-(trifluoromethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-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-[5-[1-tert-butyl-5-(trifluoromethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine?
The IUPAC name of 1-[5-[1-tert-butyl-5-(trifluoromethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine (CID 120864354) is 1-[5-[1-tert-butyl-5-(trifluoromethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine.
What is the SMILES notation for 1-[5-[1-tert-butyl-5-(trifluoromethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine?
The canonical SMILES for 1-[5-[1-tert-butyl-5-(trifluoromethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine is CC(C)(C)n1ncc(-c2nc(C3(N)CCC3)no2)c1C(F)(F)F.
What is the InChIKey of 1-[5-[1-tert-butyl-5-(trifluoromethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine?
The InChIKey is UJEXZALWGOFVAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N5O/c1-12(2,3)22-9(14(15,16)17)8(7-19-22)10-20-11(21-23-10)13(18)5-4-6-13/h7H,4-6,18H2,1-3H3.
What are the key properties of 1-[5-[1-tert-butyl-5-(trifluoromethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine?
1-[5-[1-tert-butyl-5-(trifluoromethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine has a molecular weight of 329.33 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[1-tert-butyl-5-(trifluoromethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine is sourced from PubChem (CID 120864354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).