2-butan-2-yl-5-[[4-(trifluoromethyl)triazol-1-yl]methyl]-1,3,4-oxadiazole

C10H12F3N5O — CID 167893589

IUPAC2-butan-2-yl-5-[[4-(trifluoromethyl)triazol-1-yl]methyl]-1,3,4-oxadiazole
SMILESCCC(C)c1nnc(Cn2cc(C(F)(F)F)nn2)o1
InChIInChI=1S/C10H12F3N5O/c1-3-6(2)9-16-15-8(19-9)5-18-4-7(14-17-18)10(11,12)13/h4,6H,3,5H2,1-2H3
InChIKeyYJVQTRUKAAJNOX-UHFFFAOYSA-N
MW275.23 g/mol
LogP2.24
Rot. Bonds4

About 2-butan-2-yl-5-[[4-(trifluoromethyl)triazol-1-yl]methyl]-1,3,4-oxadiazole

2-butan-2-yl-5-[[4-(trifluoromethyl)triazol-1-yl]methyl]-1,3,4-oxadiazole (PubChem CID 167893589) has the molecular formula C10H12F3N5O and a molecular weight of 275.23 g/mol. Its IUPAC name is 2-butan-2-yl-5-[[4-(trifluoromethyl)triazol-1-yl]methyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-butan-2-yl-5-[[4-(trifluoromethyl)triazol-1-yl]methyl]-1,3,4-oxadiazole
PubChem CID167893589
Molecular FormulaC10H12F3N5O
Molecular Weight275.23 g/mol
Exact Mass275.10
IUPAC Name2-butan-2-yl-5-[[4-(trifluoromethyl)triazol-1-yl]methyl]-1,3,4-oxadiazole
SMILESCCC(C)c1nnc(Cn2cc(C(F)(F)F)nn2)o1
InChIInChI=1S/C10H12F3N5O/c1-3-6(2)9-16-15-8(19-9)5-18-4-7(14-17-18)10(11,12)13/h4,6H,3,5H2,1-2H3
InChIKeyYJVQTRUKAAJNOX-UHFFFAOYSA-N
XLogP2.24
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.23
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-butan-2-yl-5-[[4-(trifluoromethyl)triazol-1-yl]methyl]-1,3,4-oxadiazole 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-butan-2-yl-5-[[4-(trifluoromethyl)triazol-1-yl]methyl]-1,3,4-oxadiazole?
The IUPAC name of 2-butan-2-yl-5-[[4-(trifluoromethyl)triazol-1-yl]methyl]-1,3,4-oxadiazole (CID 167893589) is 2-butan-2-yl-5-[[4-(trifluoromethyl)triazol-1-yl]methyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-butan-2-yl-5-[[4-(trifluoromethyl)triazol-1-yl]methyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-butan-2-yl-5-[[4-(trifluoromethyl)triazol-1-yl]methyl]-1,3,4-oxadiazole is CCC(C)c1nnc(Cn2cc(C(F)(F)F)nn2)o1.
What is the InChIKey of 2-butan-2-yl-5-[[4-(trifluoromethyl)triazol-1-yl]methyl]-1,3,4-oxadiazole?
The InChIKey is YJVQTRUKAAJNOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N5O/c1-3-6(2)9-16-15-8(19-9)5-18-4-7(14-17-18)10(11,12)13/h4,6H,3,5H2,1-2H3.
What are the key properties of 2-butan-2-yl-5-[[4-(trifluoromethyl)triazol-1-yl]methyl]-1,3,4-oxadiazole?
2-butan-2-yl-5-[[4-(trifluoromethyl)triazol-1-yl]methyl]-1,3,4-oxadiazole has a molecular weight of 275.23 g/mol, XLogP of 2.24, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-5-[[4-(trifluoromethyl)triazol-1-yl]methyl]-1,3,4-oxadiazole is sourced from PubChem (CID 167893589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).