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

C15H17F3N4O2 — CID 134143847

IUPACN-[3-(5-propyl-1,3,4-oxadiazol-2-yl)-6-(trifluoromethyl)-2-pyridinyl]butanamide
SMILESCCCC(=O)Nc1nc(C(F)(F)F)ccc1-c1nnc(CCC)o1
InChIInChI=1S/C15H17F3N4O2/c1-3-5-11(23)20-13-9(7-8-10(19-13)15(16,17)18)14-22-21-12(24-14)6-4-2/h7-8H,3-6H2,1-2H3,(H,19,20,23)
InChIKeyVHEWZYBVVXXUAC-UHFFFAOYSA-N
MW342.32 g/mol
LogP3.84
Rot. Bonds6

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

N-[3-(5-propyl-1,3,4-oxadiazol-2-yl)-6-(trifluoromethyl)-2-pyridinyl]butanamide (PubChem CID 134143847) has the molecular formula C15H17F3N4O2 and a molecular weight of 342.32 g/mol. Its IUPAC name is N-[3-(5-propyl-1,3,4-oxadiazol-2-yl)-6-(trifluoromethyl)-2-pyridinyl]butanamide.

Molecular Properties

Compound NameN-[3-(5-propyl-1,3,4-oxadiazol-2-yl)-6-(trifluoromethyl)-2-pyridinyl]butanamide
PubChem CID134143847
Molecular FormulaC15H17F3N4O2
Molecular Weight342.32 g/mol
Exact Mass342.13
IUPAC NameN-[3-(5-propyl-1,3,4-oxadiazol-2-yl)-6-(trifluoromethyl)-2-pyridinyl]butanamide
SMILESCCCC(=O)Nc1nc(C(F)(F)F)ccc1-c1nnc(CCC)o1
InChIInChI=1S/C15H17F3N4O2/c1-3-5-11(23)20-13-9(7-8-10(19-13)15(16,17)18)14-22-21-12(24-14)6-4-2/h7-8H,3-6H2,1-2H3,(H,19,20,23)
InChIKeyVHEWZYBVVXXUAC-UHFFFAOYSA-N
XLogP3.84
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.32
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(5-propyl-1,3,4-oxadiazol-2-yl)-6-(trifluoromethyl)-2-pyridinyl]butanamide?
The IUPAC name of N-[3-(5-propyl-1,3,4-oxadiazol-2-yl)-6-(trifluoromethyl)-2-pyridinyl]butanamide (CID 134143847) is N-[3-(5-propyl-1,3,4-oxadiazol-2-yl)-6-(trifluoromethyl)-2-pyridinyl]butanamide.
What is the SMILES notation for N-[3-(5-propyl-1,3,4-oxadiazol-2-yl)-6-(trifluoromethyl)-2-pyridinyl]butanamide?
The canonical SMILES for N-[3-(5-propyl-1,3,4-oxadiazol-2-yl)-6-(trifluoromethyl)-2-pyridinyl]butanamide is CCCC(=O)Nc1nc(C(F)(F)F)ccc1-c1nnc(CCC)o1.
What is the InChIKey of N-[3-(5-propyl-1,3,4-oxadiazol-2-yl)-6-(trifluoromethyl)-2-pyridinyl]butanamide?
The InChIKey is VHEWZYBVVXXUAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N4O2/c1-3-5-11(23)20-13-9(7-8-10(19-13)15(16,17)18)14-22-21-12(24-14)6-4-2/h7-8H,3-6H2,1-2H3,(H,19,20,23).
What are the key properties of N-[3-(5-propyl-1,3,4-oxadiazol-2-yl)-6-(trifluoromethyl)-2-pyridinyl]butanamide?
N-[3-(5-propyl-1,3,4-oxadiazol-2-yl)-6-(trifluoromethyl)-2-pyridinyl]butanamide has a molecular weight of 342.32 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-propyl-1,3,4-oxadiazol-2-yl)-6-(trifluoromethyl)-2-pyridinyl]butanamide is sourced from PubChem (CID 134143847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).