5-[6-[3-(trifluoromethyl)phenoxy]-2-pyridinyl]-1,3,4-oxadiazole-2-carboxamide

C15H9F3N4O3 — CID 18921390

IUPAC5-[6-[3-(trifluoromethyl)phenoxy]-2-pyridinyl]-1,3,4-oxadiazole-2-carboxamide
SMILESNC(=O)c1nnc(-c2cccc(Oc3cccc(C(F)(F)F)c3)n2)o1
InChIInChI=1S/C15H9F3N4O3/c16-15(17,18)8-3-1-4-9(7-8)24-11-6-2-5-10(20-11)13-21-22-14(25-13)12(19)23/h1-7H,(H2,19,23)
InChIKeyQVWJURNPFOJFHG-UHFFFAOYSA-N
MW350.26 g/mol
LogP3.04
Rot. Bonds4

About 5-[6-[3-(trifluoromethyl)phenoxy]-2-pyridinyl]-1,3,4-oxadiazole-2-carboxamide

5-[6-[3-(trifluoromethyl)phenoxy]-2-pyridinyl]-1,3,4-oxadiazole-2-carboxamide (PubChem CID 18921390) has the molecular formula C15H9F3N4O3 and a molecular weight of 350.26 g/mol. Its IUPAC name is 5-[6-[3-(trifluoromethyl)phenoxy]-2-pyridinyl]-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound Name5-[6-[3-(trifluoromethyl)phenoxy]-2-pyridinyl]-1,3,4-oxadiazole-2-carboxamide
PubChem CID18921390
Molecular FormulaC15H9F3N4O3
Molecular Weight350.26 g/mol
Exact Mass350.06
IUPAC Name5-[6-[3-(trifluoromethyl)phenoxy]-2-pyridinyl]-1,3,4-oxadiazole-2-carboxamide
SMILESNC(=O)c1nnc(-c2cccc(Oc3cccc(C(F)(F)F)c3)n2)o1
InChIInChI=1S/C15H9F3N4O3/c16-15(17,18)8-3-1-4-9(7-8)24-11-6-2-5-10(20-11)13-21-22-14(25-13)12(19)23/h1-7H,(H2,19,23)
InChIKeyQVWJURNPFOJFHG-UHFFFAOYSA-N
XLogP3.04
TPSA104.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.26
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[6-[3-(trifluoromethyl)phenoxy]-2-pyridinyl]-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of 5-[6-[3-(trifluoromethyl)phenoxy]-2-pyridinyl]-1,3,4-oxadiazole-2-carboxamide (CID 18921390) is 5-[6-[3-(trifluoromethyl)phenoxy]-2-pyridinyl]-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for 5-[6-[3-(trifluoromethyl)phenoxy]-2-pyridinyl]-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for 5-[6-[3-(trifluoromethyl)phenoxy]-2-pyridinyl]-1,3,4-oxadiazole-2-carboxamide is NC(=O)c1nnc(-c2cccc(Oc3cccc(C(F)(F)F)c3)n2)o1.
What is the InChIKey of 5-[6-[3-(trifluoromethyl)phenoxy]-2-pyridinyl]-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is QVWJURNPFOJFHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F3N4O3/c16-15(17,18)8-3-1-4-9(7-8)24-11-6-2-5-10(20-11)13-21-22-14(25-13)12(19)23/h1-7H,(H2,19,23).
What are the key properties of 5-[6-[3-(trifluoromethyl)phenoxy]-2-pyridinyl]-1,3,4-oxadiazole-2-carboxamide?
5-[6-[3-(trifluoromethyl)phenoxy]-2-pyridinyl]-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 350.26 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-[3-(trifluoromethyl)phenoxy]-2-pyridinyl]-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 18921390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).