N-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)-6-(trifluoromethyl)-2-pyridinyl]propanamide

C13H13F3N4O2 — CID 134143904

IUPACN-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)-6-(trifluoromethyl)-2-pyridinyl]propanamide
SMILESCCC(=O)Nc1nc(C(F)(F)F)ccc1-c1nnc(CC)o1
InChIInChI=1S/C13H13F3N4O2/c1-3-9(21)18-11-7(12-20-19-10(4-2)22-12)5-6-8(17-11)13(14,15)16/h5-6H,3-4H2,1-2H3,(H,17,18,21)
InChIKeyRQBLQSJYRYZLOI-UHFFFAOYSA-N
MW314.27 g/mol
LogP3.06
Rot. Bonds4

About N-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)-6-(trifluoromethyl)-2-pyridinyl]propanamide

N-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)-6-(trifluoromethyl)-2-pyridinyl]propanamide (PubChem CID 134143904) has the molecular formula C13H13F3N4O2 and a molecular weight of 314.27 g/mol. Its IUPAC name is N-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)-6-(trifluoromethyl)-2-pyridinyl]propanamide.

Molecular Properties

Compound NameN-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)-6-(trifluoromethyl)-2-pyridinyl]propanamide
PubChem CID134143904
Molecular FormulaC13H13F3N4O2
Molecular Weight314.27 g/mol
Exact Mass314.10
IUPAC NameN-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)-6-(trifluoromethyl)-2-pyridinyl]propanamide
SMILESCCC(=O)Nc1nc(C(F)(F)F)ccc1-c1nnc(CC)o1
InChIInChI=1S/C13H13F3N4O2/c1-3-9(21)18-11-7(12-20-19-10(4-2)22-12)5-6-8(17-11)13(14,15)16/h5-6H,3-4H2,1-2H3,(H,17,18,21)
InChIKeyRQBLQSJYRYZLOI-UHFFFAOYSA-N
XLogP3.06
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.27
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)-6-(trifluoromethyl)-2-pyridinyl]propanamide 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 N-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)-6-(trifluoromethyl)-2-pyridinyl]propanamide?
The IUPAC name of N-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)-6-(trifluoromethyl)-2-pyridinyl]propanamide (CID 134143904) is N-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)-6-(trifluoromethyl)-2-pyridinyl]propanamide.
What is the SMILES notation for N-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)-6-(trifluoromethyl)-2-pyridinyl]propanamide?
The canonical SMILES for N-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)-6-(trifluoromethyl)-2-pyridinyl]propanamide is CCC(=O)Nc1nc(C(F)(F)F)ccc1-c1nnc(CC)o1.
What is the InChIKey of N-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)-6-(trifluoromethyl)-2-pyridinyl]propanamide?
The InChIKey is RQBLQSJYRYZLOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N4O2/c1-3-9(21)18-11-7(12-20-19-10(4-2)22-12)5-6-8(17-11)13(14,15)16/h5-6H,3-4H2,1-2H3,(H,17,18,21).
What are the key properties of N-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)-6-(trifluoromethyl)-2-pyridinyl]propanamide?
N-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)-6-(trifluoromethyl)-2-pyridinyl]propanamide has a molecular weight of 314.27 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)-6-(trifluoromethyl)-2-pyridinyl]propanamide is sourced from PubChem (CID 134143904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).