N-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)pyridine-2-carboxamide

C13H13F3N4O2 — CID 167887397

IUPACN-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)pyridine-2-carboxamide
SMILESCC(C)(C)c1nnc(NC(=O)c2ccc(C(F)(F)F)cn2)o1
InChIInChI=1S/C13H13F3N4O2/c1-12(2,3)10-19-20-11(22-10)18-9(21)8-5-4-7(6-17-8)13(14,15)16/h4-6H,1-3H3,(H,18,20,21)
InChIKeyRITBYRNKMNPRPX-UHFFFAOYSA-N
MW314.27 g/mol
LogP3.03
Rot. Bonds2

About N-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)pyridine-2-carboxamide

N-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 167887397) has the molecular formula C13H13F3N4O2 and a molecular weight of 314.27 g/mol. Its IUPAC name is N-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID167887397
Molecular FormulaC13H13F3N4O2
Molecular Weight314.27 g/mol
Exact Mass314.10
IUPAC NameN-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)pyridine-2-carboxamide
SMILESCC(C)(C)c1nnc(NC(=O)c2ccc(C(F)(F)F)cn2)o1
InChIInChI=1S/C13H13F3N4O2/c1-12(2,3)10-19-20-11(22-10)18-9(21)8-5-4-7(6-17-8)13(14,15)16/h4-6H,1-3H3,(H,18,20,21)
InChIKeyRITBYRNKMNPRPX-UHFFFAOYSA-N
XLogP3.03
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.27
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)pyridine-2-carboxamide (CID 167887397) is N-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)pyridine-2-carboxamide is CC(C)(C)c1nnc(NC(=O)c2ccc(C(F)(F)F)cn2)o1.
What is the InChIKey of N-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is RITBYRNKMNPRPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N4O2/c1-12(2,3)10-19-20-11(22-10)18-9(21)8-5-4-7(6-17-8)13(14,15)16/h4-6H,1-3H3,(H,18,20,21).
What are the key properties of N-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)pyridine-2-carboxamide?
N-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 314.27 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 167887397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).